2-(4-bromo-2-chlorophenyl)nonan-2-amine

C15H23BrClN — CID 82779733

IUPAC2-(4-bromo-2-chlorophenyl)nonan-2-amine
SMILESCCCCCCCC(C)(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H23BrClN/c1-3-4-5-6-7-10-15(2,18)13-9-8-12(16)11-14(13)17/h8-9,11H,3-7,10,18H2,1-2H3
InChIKeyWXHPGNGDGISNLD-UHFFFAOYSA-N
MW332.71 g/mol
LogP5.64
Rot. Bonds7

About 2-(4-bromo-2-chlorophenyl)nonan-2-amine

2-(4-bromo-2-chlorophenyl)nonan-2-amine (PubChem CID 82779733) has the molecular formula C15H23BrClN and a molecular weight of 332.71 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)nonan-2-amine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)nonan-2-amine
PubChem CID82779733
Molecular FormulaC15H23BrClN
Molecular Weight332.71 g/mol
Exact Mass331.07
IUPAC Name2-(4-bromo-2-chlorophenyl)nonan-2-amine
SMILESCCCCCCCC(C)(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H23BrClN/c1-3-4-5-6-7-10-15(2,18)13-9-8-12(16)11-14(13)17/h8-9,11H,3-7,10,18H2,1-2H3
InChIKeyWXHPGNGDGISNLD-UHFFFAOYSA-N
XLogP5.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.71
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-2-chlorophenyl)nonan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
CID 82780088
2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 82780180
2,4-dibromo-1-(5-methyldecan-5-yl)benzene
CID 134536089
2-(2,5-dimethylphenyl)dodecan-2-amine
CID 63411602
2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
CID 82779747
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 82779386
2-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 82777110
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(4-bromo-2-chlorophenyl)-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 82779632
(3S)-3-amino-3-(2-chloro-4-methylphenyl)butan-1-ol
CID 130615118
3-(aminomethyl)-2-(4-bromo-2-chlorophenyl)hexan-2-ol
CID 82781129
4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol
CID 82781421

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)nonan-2-amine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)nonan-2-amine (CID 82779733) is 2-(4-bromo-2-chlorophenyl)nonan-2-amine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)nonan-2-amine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)nonan-2-amine is CCCCCCCC(C)(N)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)nonan-2-amine?
The InChIKey is WXHPGNGDGISNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClN/c1-3-4-5-6-7-10-15(2,18)13-9-8-12(16)11-14(13)17/h8-9,11H,3-7,10,18H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)nonan-2-amine?
2-(4-bromo-2-chlorophenyl)nonan-2-amine has a molecular weight of 332.71 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)nonan-2-amine is sourced from PubChem (CID 82779733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).