2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine

C15H15N3 — CID 174568422

IUPAC2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine
SMILESCc1c(Nc2ccccc2N)ccc2[nH]ccc12
InChIInChI=1S/C15H15N3/c1-10-11-8-9-17-14(11)7-6-13(10)18-15-5-3-2-4-12(15)16/h2-9,17-18H,16H2,1H3
InChIKeyOHWFBTOCFMMKMM-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.80
Rot. Bonds2

About 2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine

2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine (PubChem CID 174568422) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine
PubChem CID174568422
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine
SMILESCc1c(Nc2ccccc2N)ccc2[nH]ccc12
InChIInChI=1S/C15H15N3/c1-10-11-8-9-17-14(11)7-6-13(10)18-15-5-3-2-4-12(15)16/h2-9,17-18H,16H2,1H3
InChIKeyOHWFBTOCFMMKMM-UHFFFAOYSA-N
XLogP3.80
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-indol-4-amine;hydrochloride
CID 22461572
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine
CID 141167598
[2-[4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]phenyl]methanol
CID 69471595
CID 145278706
CID 145278706
5-fluoro-4-methyl-1H-indole
CID 19848907
2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine
CID 115017562
2-N-(4-bromo-2-methylphenyl)benzene-1,2-diamine
CID 18404976
ethane;5-fluoro-4-methyl-1H-indole
CID 142062842
3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077293
6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile
CID 68506103
ethane;6-methyl-1H-indol-4-amine
CID 176945961

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine (CID 174568422) is 2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine is Cc1c(Nc2ccccc2N)ccc2[nH]ccc12.
What is the InChIKey of 2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine?
The InChIKey is OHWFBTOCFMMKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-11-8-9-17-14(11)7-6-13(10)18-15-5-3-2-4-12(15)16/h2-9,17-18H,16H2,1H3.
What are the key properties of 2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine?
2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine has a molecular weight of 237.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine is sourced from PubChem (CID 174568422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).