4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine

C16H19BrN2 — CID 65342611

IUPAC4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine
SMILESCC(CCc1ccccc1)Nc1cc(Br)ccc1N
InChIInChI=1S/C16H19BrN2/c1-12(7-8-13-5-3-2-4-6-13)19-16-11-14(17)9-10-15(16)18/h2-6,9-12,19H,7-8,18H2,1H3
InChIKeyJJGMPIWEKJISOU-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.46
Rot. Bonds5

About 4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine

4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine (PubChem CID 65342611) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine
PubChem CID65342611
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine
SMILESCC(CCc1ccccc1)Nc1cc(Br)ccc1N
InChIInChI=1S/C16H19BrN2/c1-12(7-8-13-5-3-2-4-6-13)19-16-11-14(17)9-10-15(16)18/h2-6,9-12,19H,7-8,18H2,1H3
InChIKeyJJGMPIWEKJISOU-UHFFFAOYSA-N
XLogP4.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.46
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

5-bromo-2-(4-phenylbutan-2-ylamino)benzonitrile
CID 82708146
4-bromo-2-N-(4-methylpentan-2-yl)benzene-1,2-diamine
CID 65343468
2-bromo-5-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 107632948
4-[3-(2,5-dibromoanilino)butyl]phenol
CID 43736822
5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 107591356
2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 63425771
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311
4-bromo-2-[4-(3-methylphenyl)butan-2-ylamino]benzonitrile
CID 107797503
5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43777522
4-phenylbutan-2-ylhydrazine
CID 28622

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine (CID 65342611) is 4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine is CC(CCc1ccccc1)Nc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine?
The InChIKey is JJGMPIWEKJISOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-12(7-8-13-5-3-2-4-6-13)19-16-11-14(17)9-10-15(16)18/h2-6,9-12,19H,7-8,18H2,1H3.
What are the key properties of 4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine?
4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine has a molecular weight of 319.25 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 65342611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).