2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine

C17H18ClN3 — CID 102910164

IUPAC2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2ccc3cc[nH]c3c2)cc1Cl
InChIInChI=1S/C17H18ClN3/c1-21(2)17-6-5-14(10-15(17)18)20-11-12-3-4-13-7-8-19-16(13)9-12/h3-10,19-20H,11H2,1-2H3
InChIKeyMEZJMTOOMMNBHK-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.50
Rot. Bonds4

About 2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine

2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 102910164) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID102910164
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2ccc3cc[nH]c3c2)cc1Cl
InChIInChI=1S/C17H18ClN3/c1-21(2)17-6-5-14(10-15(17)18)20-11-12-3-4-13-7-8-19-16(13)9-12/h3-10,19-20H,11H2,1-2H3
InChIKeyMEZJMTOOMMNBHK-UHFFFAOYSA-N
XLogP4.50
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine 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-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 102911672
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
3-chloro-4-ethoxy-N-(1H-indol-6-ylmethyl)aniline
CID 102910079
3-chloro-N-(1H-indol-6-ylmethyl)-4-nitroaniline
CID 102911732
4-N-[(4-bromophenyl)methyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450826
2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 103818948
N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline
CID 102909680
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
6-chloro-N-(1H-indol-6-ylmethyl)-1,3-benzodioxol-5-amine
CID 102909590
2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
4-bromo-3-chloro-N-(1H-indol-5-ylmethyl)aniline
CID 107619194
3-chloro-N-(1H-indol-5-ylmethyl)-4-methoxyaniline
CID 102909165

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine (CID 102910164) is 2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(NCc2ccc3cc[nH]c3c2)cc1Cl.
What is the InChIKey of 2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is MEZJMTOOMMNBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-21(2)17-6-5-14(10-15(17)18)20-11-12-3-4-13-7-8-19-16(13)9-12/h3-10,19-20H,11H2,1-2H3.
What are the key properties of 2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine has a molecular weight of 299.81 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 102910164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).