3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline

C15H15ClN2 — CID 80648678

IUPAC3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
SMILESClc1cccc(NCc2cccc3c2NCC3)c1
InChIInChI=1S/C15H15ClN2/c16-13-5-2-6-14(9-13)18-10-12-4-1-3-11-7-8-17-15(11)12/h1-6,9,17-18H,7-8,10H2
InChIKeyWQVDJUZRWARMHT-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.92
Rot. Bonds3

About 3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline

3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline (PubChem CID 80648678) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
PubChem CID80648678
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
SMILESClc1cccc(NCc2cccc3c2NCC3)c1
InChIInChI=1S/C15H15ClN2/c16-13-5-2-6-14(9-13)18-10-12-4-1-3-11-7-8-17-15(11)12/h1-6,9,17-18H,7-8,10H2
InChIKeyWQVDJUZRWARMHT-UHFFFAOYSA-N
XLogP3.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline 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-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80650469
2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide
CID 80650015
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
CID 80650262
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 80648500
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114838905
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline
CID 80650265
N-(2,3-dihydro-1H-indol-7-ylmethyl)-5-fluoropyridin-3-amine
CID 114254338
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1H-indazol-5-amine
CID 80648541
2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile
CID 80650196
1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 80649791
4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
CID 80649143
(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 81352928

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline (CID 80648678) is 3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline is Clc1cccc(NCc2cccc3c2NCC3)c1.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline?
The InChIKey is WQVDJUZRWARMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-13-5-2-6-14(9-13)18-10-12-4-1-3-11-7-8-17-15(11)12/h1-6,9,17-18H,7-8,10H2.
What are the key properties of 3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline?
3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline has a molecular weight of 258.75 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline is sourced from PubChem (CID 80648678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).