4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine

C17H18BrN3 — CID 60681484

IUPAC4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NCc1c[nH]c2ccccc12
InChIInChI=1S/C17H18BrN3/c1-21(2)17-8-7-13(18)9-16(17)20-11-12-10-19-15-6-4-3-5-14(12)15/h3-10,19-20H,11H2,1-2H3
InChIKeyHFZBHZOAWSJCMQ-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.61
Rot. Bonds4

About 4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine

4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 60681484) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID60681484
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NCc1c[nH]c2ccccc12
InChIInChI=1S/C17H18BrN3/c1-21(2)17-8-7-13(18)9-16(17)20-11-12-10-19-15-6-4-3-5-14(12)15/h3-10,19-20H,11H2,1-2H3
InChIKeyHFZBHZOAWSJCMQ-UHFFFAOYSA-N
XLogP4.61
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-N,1-N-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,2-diamine
CID 66416413
4-bromo-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43231794
4-bromo-N-(1H-indol-3-ylmethyl)aniline
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2-(4-bromophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
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4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746316
4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine
CID 115124152
4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 105401355
N-(1H-indol-3-ylmethyl)-1H-indazol-4-amine
CID 62325226

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine (CID 60681484) is 4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(Br)cc1NCc1c[nH]c2ccccc12.
What is the InChIKey of 4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is HFZBHZOAWSJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-21(2)17-8-7-13(18)9-16(17)20-11-12-10-19-15-6-4-3-5-14(12)15/h3-10,19-20H,11H2,1-2H3.
What are the key properties of 4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 344.26 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 60681484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).