3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine

C14H15BrN2 — CID 112648174

IUPAC3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C14H15BrN2/c1-9-3-4-13(15)14(7-9)17-12-6-10(2)5-11(16)8-12/h3-8,17H,16H2,1-2H3
InChIKeyIDJMJZQAEUGKFA-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.39
Rot. Bonds2

About 3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine

3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine (PubChem CID 112648174) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
PubChem CID112648174
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C14H15BrN2/c1-9-3-4-13(15)14(7-9)17-12-6-10(2)5-11(16)8-12/h3-8,17H,16H2,1-2H3
InChIKeyIDJMJZQAEUGKFA-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-bromo-5-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 82761389
2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 56636906
3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647070
3-N-(4-bromophenyl)-5-methylbenzene-1,3-diamine
CID 112647051
2-N-(2-bromo-5-methylphenyl)benzene-1,2-diamine
CID 82761133
2-amino-5-(2-bromo-5-methylanilino)benzoic acid
CID 82766993
(2-bromo-5-methylphenyl)hydrazine
CID 12891837
2-amino-4-(2-bromo-5-methylanilino)benzoic acid
CID 113419864
3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647073
3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine
CID 54955676
2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine
CID 82761644
2-(3-amino-5-methylanilino)-4-bromobenzonitrile
CID 107797158

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine (CID 112648174) is 3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine is Cc1cc(N)cc(Nc2cc(C)ccc2Br)c1.
What is the InChIKey of 3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine?
The InChIKey is IDJMJZQAEUGKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-9-3-4-13(15)14(7-9)17-12-6-10(2)5-11(16)8-12/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine?
3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine has a molecular weight of 291.19 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 112648174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).