[4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine

C25H26N2 — CID 166911633

IUPAC[4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine
SMILESCC(C)Cn1cc(-c2ccc(CN)cc2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C25H26N2/c1-18(2)16-27-17-24(21-10-8-19(15-26)9-11-21)23-13-12-22(14-25(23)27)20-6-4-3-5-7-20/h3-14,17-18H,15-16,26H2,1-2H3
InChIKeyGOTBIYJAAXUWTH-UHFFFAOYSA-N
MW354.50 g/mol
LogP6.09
Rot. Bonds5

About [4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine

[4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine (PubChem CID 166911633) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is [4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine
PubChem CID166911633
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name[4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine
SMILESCC(C)Cn1cc(-c2ccc(CN)cc2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C25H26N2/c1-18(2)16-27-17-24(21-10-8-19(15-26)9-11-21)23-13-12-22(14-25(23)27)20-6-4-3-5-7-20/h3-14,17-18H,15-16,26H2,1-2H3
InChIKeyGOTBIYJAAXUWTH-UHFFFAOYSA-N
XLogP6.09
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline
CID 166911852
N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide
CID 166911443
N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide
CID 169304847
1-(3-phenylindol-1-yl)propan-2-amine
CID 154276065
2-[6-(3-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911481
1-(2-methylpropyl)-6-phenylindole
CID 166911432
2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911476
6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid
CID 172674811
[4-methyl-3-(4-phenylphenyl)phenyl]methanamine
CID 105408962
6-[4-(aminomethyl)phenyl]-4-(2-methylpropyl)-7-phenyl-2H-isoquinolin-1-one
CID 67001989
3,6-bis(aminomethyl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one;dihydrochloride
CID 22176334
5-nitro-3-phenyl-1-[(4-phenylphenyl)methyl]indole
CID 159884874

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine?
The IUPAC name of [4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine (CID 166911633) is [4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine is CC(C)Cn1cc(-c2ccc(CN)cc2)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of [4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine?
The InChIKey is GOTBIYJAAXUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-18(2)16-27-17-24(21-10-8-19(15-26)9-11-21)23-13-12-22(14-25(23)27)20-6-4-3-5-7-20/h3-14,17-18H,15-16,26H2,1-2H3.
What are the key properties of [4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine?
[4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine has a molecular weight of 354.50 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine is sourced from PubChem (CID 166911633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).