4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine

C15H17BrN2 — CID 65343158

IUPAC4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine
SMILESCC(C)c1cccc(Nc2cc(Br)ccc2N)c1
InChIInChI=1S/C15H17BrN2/c1-10(2)11-4-3-5-13(8-11)18-15-9-12(16)6-7-14(15)17/h3-10,18H,17H2,1-2H3
InChIKeyZHXCJVXCWKNLIV-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.90
Rot. Bonds3

About 4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine

4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine (PubChem CID 65343158) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine
PubChem CID65343158
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine
SMILESCC(C)c1cccc(Nc2cc(Br)ccc2N)c1
InChIInChI=1S/C15H17BrN2/c1-10(2)11-4-3-5-13(8-11)18-15-9-12(16)6-7-14(15)17/h3-10,18H,17H2,1-2H3
InChIKeyZHXCJVXCWKNLIV-UHFFFAOYSA-N
XLogP4.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.90
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

4-chloro-1-N-(3-propan-2-ylphenyl)benzene-1,2-diamine
CID 29067664
1-bromo-3-propan-2-ylbenzene;methyl 3-amino-2,6-dichlorobenzoate;methyl 2,6-dichloro-3-(3-propan-2-ylanilino)benzoate
CID 167547557
N-[1-(3-bromophenyl)ethyl]-3-propan-2-ylaniline
CID 43100615
4-bromo-2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 65343511
6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine
CID 113316745
4-bromo-2-N-pyridin-4-ylbenzene-1,2-diamine
CID 90093407
5-bromo-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 43307054
2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine
CID 63671137
2-bromo-3-fluoro-4-(3-propan-2-ylanilino)benzenecarbothioamide
CID 107534642
4-N-(3-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436300
1-N-(3-bromophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592219
4-bromo-2-N-quinolin-6-ylbenzene-1,2-diamine
CID 65342296

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine (CID 65343158) is 4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine is CC(C)c1cccc(Nc2cc(Br)ccc2N)c1.
What is the InChIKey of 4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine?
The InChIKey is ZHXCJVXCWKNLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10(2)11-4-3-5-13(8-11)18-15-9-12(16)6-7-14(15)17/h3-10,18H,17H2,1-2H3.
What are the key properties of 4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine?
4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine has a molecular weight of 305.22 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 65343158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).