1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine

C19H21FN2 — CID 119027513

IUPAC1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
SMILESCCCn1cc(CNCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C19H21FN2/c1-2-11-22-14-16(18-5-3-4-6-19(18)22)13-21-12-15-7-9-17(20)10-8-15/h3-10,14,21H,2,11-13H2,1H3
InChIKeyVTBODRNFZJHHCO-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.48
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine

1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine (PubChem CID 119027513) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
PubChem CID119027513
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
SMILESCCCn1cc(CNCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C19H21FN2/c1-2-11-22-14-16(18-5-3-4-6-19(18)22)13-21-12-15-7-9-17(20)10-8-15/h3-10,14,21H,2,11-13H2,1H3
InChIKeyVTBODRNFZJHHCO-UHFFFAOYSA-N
XLogP4.48
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
CID 124804470
1-(furan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 94074131
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 124783741
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
CID 124784130
N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
CID 66408210
(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823717
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine (CID 119027513) is 1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine is CCCn1cc(CNCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine?
The InChIKey is VTBODRNFZJHHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c1-2-11-22-14-16(18-5-3-4-6-19(18)22)13-21-12-15-7-9-17(20)10-8-15/h3-10,14,21H,2,11-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine?
1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine has a molecular weight of 296.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine is sourced from PubChem (CID 119027513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).