3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine

C20H24N2 — CID 142928005

IUPAC3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine
SMILESCCCC(C)(c1ccc(C)cc1)c1c[nH]c2c(N)cccc12
InChIInChI=1S/C20H24N2/c1-4-12-20(3,15-10-8-14(2)9-11-15)17-13-22-19-16(17)6-5-7-18(19)21/h5-11,13,22H,4,12,21H2,1-3H3
InChIKeyKWRFFABJVDGPHK-UHFFFAOYSA-N
MW292.43 g/mol
LogP5.16
Rot. Bonds4

About 3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine

3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine (PubChem CID 142928005) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine
PubChem CID142928005
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine
SMILESCCCC(C)(c1ccc(C)cc1)c1c[nH]c2c(N)cccc12
InChIInChI=1S/C20H24N2/c1-4-12-20(3,15-10-8-14(2)9-11-15)17-13-22-19-16(17)6-5-7-18(19)21/h5-11,13,22H,4,12,21H2,1-3H3
InChIKeyKWRFFABJVDGPHK-UHFFFAOYSA-N
XLogP5.16
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methylphenyl)propan-2-yl]-1H-indol-7-amine
CID 58731229
7-methyl-3-(2-phenylpentan-2-yl)-1H-indole
CID 58731174
3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole
CID 123342747
4-(2-phenylpentan-2-yl)benzene-1,3-diamine
CID 19849987
3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole
CID 72793438
7-ethyl-3-[1-(7-ethyl-1H-indol-3-yl)-1-phenylethyl]-1H-indole
CID 101349475
N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
CID 58731218
1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
2-(1H-indol-3-yl)-2-phenylpropan-1-amine
CID 102100966
3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine
CID 117181811
3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine
CID 117182017
1-methyl-4-(1,1,1-trifluoro-2-methylpentan-2-yl)benzene
CID 123349575

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine?
The IUPAC name of 3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine (CID 142928005) is 3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine.
What is the SMILES notation for 3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine?
The canonical SMILES for 3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine is CCCC(C)(c1ccc(C)cc1)c1c[nH]c2c(N)cccc12.
What is the InChIKey of 3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine?
The InChIKey is KWRFFABJVDGPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-4-12-20(3,15-10-8-14(2)9-11-15)17-13-22-19-16(17)6-5-7-18(19)21/h5-11,13,22H,4,12,21H2,1-3H3.
What are the key properties of 3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine?
3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine has a molecular weight of 292.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)pentan-2-yl]-1H-indol-7-amine is sourced from PubChem (CID 142928005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).