1-[(4-methylphenyl)methyl]indol-7-amine

C16H16N2 — CID 114935703

IUPAC1-[(4-methylphenyl)methyl]indol-7-amine
SMILESCc1ccc(Cn2ccc3cccc(N)c32)cc1
InChIInChI=1S/C16H16N2/c1-12-5-7-13(8-6-12)11-18-10-9-14-3-2-4-15(17)16(14)18/h2-10H,11,17H2,1H3
InChIKeyGTZWNJQUSSLXMM-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.58
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]indol-7-amine

1-[(4-methylphenyl)methyl]indol-7-amine (PubChem CID 114935703) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]indol-7-amine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]indol-7-amine
PubChem CID114935703
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-[(4-methylphenyl)methyl]indol-7-amine
SMILESCc1ccc(Cn2ccc3cccc(N)c32)cc1
InChIInChI=1S/C16H16N2/c1-12-5-7-13(8-6-12)11-18-10-9-14-3-2-4-15(17)16(14)18/h2-10H,11,17H2,1H3
InChIKeyGTZWNJQUSSLXMM-UHFFFAOYSA-N
XLogP3.58
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4-methylphenyl)methyl]indol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)methyl]indol-7-amine
CID 114935856
1-[(2,6-dichlorophenyl)methyl]indol-7-amine
CID 114935944
1-[(6-methyl-2-pyridinyl)methyl]indol-7-amine
CID 114935790
1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine
CID 114935840
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine
CID 114935734
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine
CID 114935834
1-(2-propoxyethyl)indol-7-amine
CID 106452734
methyl 2-(7-aminoindol-1-yl)acetate
CID 114935904
1-(cyclopentylmethyl)indol-7-amine
CID 114935809
4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile
CID 102913605
1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 162366446
1-benzyl-7-(2-methylpropyl)indole
CID 59836563

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]indol-7-amine?
The IUPAC name of 1-[(4-methylphenyl)methyl]indol-7-amine (CID 114935703) is 1-[(4-methylphenyl)methyl]indol-7-amine.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]indol-7-amine?
The canonical SMILES for 1-[(4-methylphenyl)methyl]indol-7-amine is Cc1ccc(Cn2ccc3cccc(N)c32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]indol-7-amine?
The InChIKey is GTZWNJQUSSLXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-5-7-13(8-6-12)11-18-10-9-14-3-2-4-15(17)16(14)18/h2-10H,11,17H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]indol-7-amine?
1-[(4-methylphenyl)methyl]indol-7-amine has a molecular weight of 236.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]indol-7-amine is sourced from PubChem (CID 114935703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).