1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine

C150H143F6N17O4S2 — CID 159135418

IUPAC1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine
SMILESCOCc1ccc(CNc2ncccn2)cc1.Fc1ccc(NCc2ccc(CNc3ccc(F)cn3)cc2)nc1.Fc1cccc(NCc2ccc(CNc3cccc(F)c3)cc2)c1.Fc1ccccc1NCc1ccc(CNc2ccccc2F)cc1.c1ccc(CCCc2ccc(CNCc3ccccn3)cc2)nc1.c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1.c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1.c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1
InChIInChI=1S/C21H23N3.2C20H18F2N2.C20H18O2.C20H18S2.C18H16F2N4.C18H17N3O.C13H15N3O/c1-3-14-23-20(7-1)9-5-6-18-10-12-19(13-11-18)16-22-17-21-8-2-4-15-24-21;21-17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(22)12-20;21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22;2*1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20;19-15-5-7-17(23-11-15)21-9-13-1-2-14(4-3-13)10-22-18-8-6-16(20)12-24-18;1-2-5-17(6-3-1)22-14-16-9-7-15(8-10-16)13-21-18-19-11-4-12-20-18;1-17-10-12-5-3-11(4-6-12)9-16-13-14-7-2-8-15-13/h1-4,7-8,10-15,22H,5-6,9,16-17H2;2*1-12,23-24H,13-14H2;2*1-14H,15-16H2;1-8,11-12H,9-10H2,(H,21,23)(H,22,24);1-12H,13-14H2,(H,19,20,21);2-8H,9-10H2,1H3,(H,14,15,16)
InChIKeyKHKTVOGQDODCAX-UHFFFAOYSA-N
MW2426.03 g/mol
LogP35.32
Rot. Bonds49

About 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine

1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine (PubChem CID 159135418) has the molecular formula C150H143F6N17O4S2 and a molecular weight of 2426.03 g/mol. Its IUPAC name is 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine
PubChem CID159135418
Molecular FormulaC150H143F6N17O4S2
Molecular Weight2426.03 g/mol
Exact Mass2424.09
IUPAC Name1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine
SMILESCOCc1ccc(CNc2ncccn2)cc1.Fc1ccc(NCc2ccc(CNc3ccc(F)cn3)cc2)nc1.Fc1cccc(NCc2ccc(CNc3cccc(F)c3)cc2)c1.Fc1ccccc1NCc1ccc(CNc2ccccc2F)cc1.c1ccc(CCCc2ccc(CNCc3ccccn3)cc2)nc1.c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1.c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1.c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1
InChIInChI=1S/C21H23N3.2C20H18F2N2.C20H18O2.C20H18S2.C18H16F2N4.C18H17N3O.C13H15N3O/c1-3-14-23-20(7-1)9-5-6-18-10-12-19(13-11-18)16-22-17-21-8-2-4-15-24-21;21-17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(22)12-20;21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22;2*1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20;19-15-5-7-17(23-11-15)21-9-13-1-2-14(4-3-13)10-22-18-8-6-16(20)12-24-18;1-2-5-17(6-3-1)22-14-16-9-7-15(8-10-16)13-21-18-19-11-4-12-20-18;1-17-10-12-5-3-11(4-6-12)9-16-13-14-7-2-8-15-13/h1-4,7-8,10-15,22H,5-6,9,16-17H2;2*1-12,23-24H,13-14H2;2*1-14H,15-16H2;1-8,11-12H,9-10H2,(H,21,23)(H,22,24);1-12H,13-14H2,(H,19,20,21);2-8H,9-10H2,1H3,(H,14,15,16)
InChIKeyKHKTVOGQDODCAX-UHFFFAOYSA-N
XLogP35.32
TPSA248.31 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds49
Heavy Atoms179
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002426.03
LogP ≤ 535.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine?
The IUPAC name of 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine (CID 159135418) is 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine.
What is the SMILES notation for 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine?
The canonical SMILES for 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine is COCc1ccc(CNc2ncccn2)cc1.Fc1ccc(NCc2ccc(CNc3ccc(F)cn3)cc2)nc1.Fc1cccc(NCc2ccc(CNc3cccc(F)c3)cc2)c1.Fc1ccccc1NCc1ccc(CNc2ccccc2F)cc1.c1ccc(CCCc2ccc(CNCc3ccccn3)cc2)nc1.c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1.c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1.c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine?
The InChIKey is KHKTVOGQDODCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3.2C20H18F2N2.C20H18O2.C20H18S2.C18H16F2N4.C18H17N3O.C13H15N3O/c1-3-14-23-20(7-1)9-5-6-18-10-12-19(13-11-18)16-22-17-21-8-2-4-15-24-21;21-17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(22)12-20;21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22;2*1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20;19-15-5-7-17(23-11-15)21-9-13-1-2-14(4-3-13)10-22-18-8-6-16(20)12-24-18;1-2-5-17(6-3-1)22-14-16-9-7-15(8-10-16)13-21-18-19-11-4-12-20-18;1-17-10-12-5-3-11(4-6-12)9-16-13-14-7-2-8-15-13/h1-4,7-8,10-15,22H,5-6,9,16-17H2;2*1-12,23-24H,13-14H2;2*1-14H,15-16H2;1-8,11-12H,9-10H2,(H,21,23)(H,22,24);1-12H,13-14H2,(H,19,20,21);2-8H,9-10H2,1H3,(H,14,15,16).
What are the key properties of 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine?
1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine has a molecular weight of 2426.03 g/mol, XLogP of 35.32, 49 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine is sourced from PubChem (CID 159135418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).