N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene

C110H169F2N11O — CID 157194985

IUPACN,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene
SMILESCC(C)Nc1ccc(C(C)C)cc1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1cc(F)c(C(C)C)cn1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)c(F)c1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1
InChIInChI=1S/C12H19N.C12H18O.C12H18.2C11H16FN.2C11H17N.3C10H16N2/c2*1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-6-13-11(8(3)4)5-10(9)12;1-7(2)9-5-10(12)11(8(3)4)13-6-9;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9/h5-10,13H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3;2*5-9H,1-4H3;3*5-8H,1-4H3
InChIKeyAQDGVBNBEJNLPZ-UHFFFAOYSA-N
MW1699.63 g/mol
LogP32.92
Rot. Bonds22

About N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene

N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene (PubChem CID 157194985) has the molecular formula C110H169F2N11O and a molecular weight of 1699.63 g/mol. Its IUPAC name is N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene.

Molecular Properties

Compound NameN,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene
PubChem CID157194985
Molecular FormulaC110H169F2N11O
Molecular Weight1699.63 g/mol
Exact Mass1698.35
IUPAC NameN,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene
SMILESCC(C)Nc1ccc(C(C)C)cc1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1cc(F)c(C(C)C)cn1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)c(F)c1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1
InChIInChI=1S/C12H19N.C12H18O.C12H18.2C11H16FN.2C11H17N.3C10H16N2/c2*1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-6-13-11(8(3)4)5-10(9)12;1-7(2)9-5-10(12)11(8(3)4)13-6-9;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9/h5-10,13H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3;2*5-9H,1-4H3;3*5-8H,1-4H3
InChIKeyAQDGVBNBEJNLPZ-UHFFFAOYSA-N
XLogP32.92
TPSA150.16 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001699.63
LogP ≤ 532.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene with MolForge

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Related Compounds

US11247990, Example 482
CID 138715281
2-(2,3-Difluoro-phenyl)-5-[5-(4-propoxy-phenyl)-pyridin-2-ylmethyl]-5H-imidazo[4,5-d]pyridazine
CID 44217580
N-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]ethyl]pteridin-4-amine
CID 58174087
6-(2-((5-fluoro-6-methoxy-3-pyridinyl)amino)-5-(1-(4-morpholinyl)ethyl)-3-pyridinyl)-N,N-bis(4-methoxybenzyl)-2-methyl-4-pyrimidinamine
CID 66600223
5-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-YL)-N-(5-fluoro-6-methoxypyridin-3-YL)-2,4'-bipyridin-6-amine
CID 66611960
6-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-diamine
CID 78425849
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-4-N,6-N-dipyridin-4-ylpyrimidine-4,6-diamine
CID 86275022
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-morpholin-4-yl-4-N,6-N-dipyridin-4-ylpyrimidine-4,6-diamine
CID 86275024
1-Cyclohexyl-3-[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]urea
CID 86567922
1-Cyclohexyl-3-[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-morpholin-4-yl-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]urea
CID 86567923
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-4-N,6-N-dipyridin-4-ylpyrimidine-4,6-diamine
CID 86567948
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-4-N,6-N-bis(2-methoxy-4-pyridinyl)pyrimidine-4,6-diamine
CID 86567949

Frequently Asked Questions

What is the IUPAC name of N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene?
The IUPAC name of N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene (CID 157194985) is N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene.
What is the SMILES notation for N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene?
The canonical SMILES for N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene is CC(C)Nc1ccc(C(C)C)cc1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1cc(F)c(C(C)C)cn1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)c(F)c1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.
What is the InChIKey of N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene?
The InChIKey is AQDGVBNBEJNLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C12H18O.C12H18.2C11H16FN.2C11H17N.3C10H16N2/c2*1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-6-13-11(8(3)4)5-10(9)12;1-7(2)9-5-10(12)11(8(3)4)13-6-9;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9/h5-10,13H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3;2*5-9H,1-4H3;3*5-8H,1-4H3.
What are the key properties of N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene?
N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene has a molecular weight of 1699.63 g/mol, XLogP of 32.92, 22 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene is sourced from PubChem (CID 157194985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).