2-bromo-1-phenyltridecan-1-amine

C19H32BrN — CID 175004470

IUPAC2-bromo-1-phenyltridecan-1-amine
SMILESCCCCCCCCCCCC(Br)C(N)c1ccccc1
InChIInChI=1S/C19H32BrN/c1-2-3-4-5-6-7-8-9-13-16-18(20)19(21)17-14-11-10-12-15-17/h10-12,14-15,18-19H,2-9,13,16,21H2,1H3
InChIKeyFDKMMNUQNGVVJQ-UHFFFAOYSA-N
MW354.38 g/mol
LogP6.37
Rot. Bonds12

About 2-bromo-1-phenyltridecan-1-amine

2-bromo-1-phenyltridecan-1-amine (PubChem CID 175004470) has the molecular formula C19H32BrN and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-bromo-1-phenyltridecan-1-amine.

Molecular Properties

Compound Name2-bromo-1-phenyltridecan-1-amine
PubChem CID175004470
Molecular FormulaC19H32BrN
Molecular Weight354.38 g/mol
Exact Mass353.17
IUPAC Name2-bromo-1-phenyltridecan-1-amine
SMILESCCCCCCCCCCCC(Br)C(N)c1ccccc1
InChIInChI=1S/C19H32BrN/c1-2-3-4-5-6-7-8-9-13-16-18(20)19(21)17-14-11-10-12-15-17/h10-12,14-15,18-19H,2-9,13,16,21H2,1H3
InChIKeyFDKMMNUQNGVVJQ-UHFFFAOYSA-N
XLogP6.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-1-phenyltridecan-1-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

1-phenyldecan-1-amine
CID 43175860
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
chloromethane;1-phenyltridecan-1-amine
CID 175245788
1-phenylhexan-1-amine;hydrochloride
CID 3033249
(1-bromo-2-methylnonyl)benzene
CID 104846505
1,1-diphenylnonan-2-amine;hydrate
CID 173441575
1,1-diphenylnonadecan-2-amine;hydrate
CID 173441506
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
3-hexadecyl-2-phenylnonadecan-1-amine
CID 175285044
3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine
CID 43127446
(1R)-1-phenyloctan-1-ol
CID 12794259

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-phenyltridecan-1-amine?
The IUPAC name of 2-bromo-1-phenyltridecan-1-amine (CID 175004470) is 2-bromo-1-phenyltridecan-1-amine.
What is the SMILES notation for 2-bromo-1-phenyltridecan-1-amine?
The canonical SMILES for 2-bromo-1-phenyltridecan-1-amine is CCCCCCCCCCCC(Br)C(N)c1ccccc1.
What is the InChIKey of 2-bromo-1-phenyltridecan-1-amine?
The InChIKey is FDKMMNUQNGVVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BrN/c1-2-3-4-5-6-7-8-9-13-16-18(20)19(21)17-14-11-10-12-15-17/h10-12,14-15,18-19H,2-9,13,16,21H2,1H3.
What are the key properties of 2-bromo-1-phenyltridecan-1-amine?
2-bromo-1-phenyltridecan-1-amine has a molecular weight of 354.38 g/mol, XLogP of 6.37, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-phenyltridecan-1-amine is sourced from PubChem (CID 175004470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).