2-(1H-indol-3-ylmethyl)-3-methylaniline

C16H16N2 — CID 175306160

IUPAC2-(1H-indol-3-ylmethyl)-3-methylaniline
SMILESCc1cccc(N)c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H16N2/c1-11-5-4-7-15(17)14(11)9-12-10-18-16-8-3-2-6-13(12)16/h2-8,10,18H,9,17H2,1H3
InChIKeyUDFUYWGIAPSVOE-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.65
Rot. Bonds2

About 2-(1H-indol-3-ylmethyl)-3-methylaniline

2-(1H-indol-3-ylmethyl)-3-methylaniline (PubChem CID 175306160) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-3-methylaniline.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-3-methylaniline
PubChem CID175306160
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(1H-indol-3-ylmethyl)-3-methylaniline
SMILESCc1cccc(N)c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H16N2/c1-11-5-4-7-15(17)14(11)9-12-10-18-16-8-3-2-6-13(12)16/h2-8,10,18H,9,17H2,1H3
InChIKeyUDFUYWGIAPSVOE-UHFFFAOYSA-N
XLogP3.65
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1H-indol-3-ylmethyl)-3-methylaniline 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

3-ethyl-1H-indole;methanamine
CID 142222050
4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole
CID 11550369
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
1-(1H-indol-3-yl)butan-2-amine
CID 8367
3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 82091562
3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole
CID 139401317
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 15646289
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
CID 90360713
CID 90360713
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 135044640
CID 135044640

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-3-methylaniline?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-3-methylaniline (CID 175306160) is 2-(1H-indol-3-ylmethyl)-3-methylaniline.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-3-methylaniline?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-3-methylaniline is Cc1cccc(N)c1Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-3-methylaniline?
The InChIKey is UDFUYWGIAPSVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-5-4-7-15(17)14(11)9-12-10-18-16-8-3-2-6-13(12)16/h2-8,10,18H,9,17H2,1H3.
What are the key properties of 2-(1H-indol-3-ylmethyl)-3-methylaniline?
2-(1H-indol-3-ylmethyl)-3-methylaniline has a molecular weight of 236.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethyl)-3-methylaniline is sourced from PubChem (CID 175306160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).