2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine

C17H18ClN3 — CID 103818948

IUPAC2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2cccc3cc[nH]c23)cc1Cl
InChIInChI=1S/C17H18ClN3/c1-21(2)16-7-6-14(10-15(16)18)20-11-13-5-3-4-12-8-9-19-17(12)13/h3-10,19-20H,11H2,1-2H3
InChIKeyFLHLCQJRCPDKQO-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.50
Rot. Bonds4

About 2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine

2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 103818948) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID103818948
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2cccc3cc[nH]c23)cc1Cl
InChIInChI=1S/C17H18ClN3/c1-21(2)16-7-6-14(10-15(16)18)20-11-13-5-3-4-12-8-9-19-17(12)13/h3-10,19-20H,11H2,1-2H3
InChIKeyFLHLCQJRCPDKQO-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'}

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Related Compounds

2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 102910164
4-chloro-N-(1H-indol-7-ylmethyl)-3-nitroaniline
CID 102909708
3-bromo-N-(1H-indol-7-ylmethyl)aniline
CID 113268158
2-fluoro-4-(1H-indol-7-ylmethylamino)phenol
CID 102911136
4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 102909422
N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline
CID 162548025
N-(1H-indol-7-ylmethyl)quinolin-3-amine
CID 104624378
3-bromo-N-(1H-indol-7-ylmethyl)-5-methoxyaniline
CID 103876462
4-N-[(4-bromophenyl)methyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450826
4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 107788084
2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63204464
N-(1H-indol-7-ylmethyl)-4-iodo-2-methylaniline
CID 102909688

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine (CID 103818948) is 2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(NCc2cccc3cc[nH]c23)cc1Cl.
What is the InChIKey of 2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is FLHLCQJRCPDKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-21(2)16-7-6-14(10-15(16)18)20-11-13-5-3-4-12-8-9-19-17(12)13/h3-10,19-20H,11H2,1-2H3.
What are the key properties of 2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
2-chloro-4-N-(1H-indol-7-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-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 103818948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).