1-(3-bromophenyl)heptan-4-amine

C13H20BrN — CID 64504358

IUPAC1-(3-bromophenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cccc(Br)c1
InChIInChI=1S/C13H20BrN/c1-2-5-13(15)9-4-7-11-6-3-8-12(14)10-11/h3,6,8,10,13H,2,4-5,7,9,15H2,1H3
InChIKeyPHYWKVVVWKUAHR-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.90
Rot. Bonds6

About 1-(3-bromophenyl)heptan-4-amine

1-(3-bromophenyl)heptan-4-amine (PubChem CID 64504358) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)heptan-4-amine
PubChem CID64504358
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(3-bromophenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cccc(Br)c1
InChIInChI=1S/C13H20BrN/c1-2-5-13(15)9-4-7-11-6-3-8-12(14)10-11/h3,6,8,10,13H,2,4-5,7,9,15H2,1H3
InChIKeyPHYWKVVVWKUAHR-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromophenyl)heptan-4-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-(3-bromo-4-methylphenyl)heptan-4-amine
CID 83924298
1-(3-bromo-4-ethylphenyl)heptan-4-amine
CID 83921620
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
2-amino-5-(3-bromophenyl)pentanoic acid
CID 83664408
1-phenyloctan-4-amine
CID 79413314
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
CID 83926181
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
4-(4-aminoheptyl)aniline
CID 83928416
1-(3-bromo-2-methylphenyl)heptan-4-amine
CID 83925953
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)heptan-4-amine?
The IUPAC name of 1-(3-bromophenyl)heptan-4-amine (CID 64504358) is 1-(3-bromophenyl)heptan-4-amine.
What is the SMILES notation for 1-(3-bromophenyl)heptan-4-amine?
The canonical SMILES for 1-(3-bromophenyl)heptan-4-amine is CCCC(N)CCCc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)heptan-4-amine?
The InChIKey is PHYWKVVVWKUAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-2-5-13(15)9-4-7-11-6-3-8-12(14)10-11/h3,6,8,10,13H,2,4-5,7,9,15H2,1H3.
What are the key properties of 1-(3-bromophenyl)heptan-4-amine?
1-(3-bromophenyl)heptan-4-amine has a molecular weight of 270.21 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)heptan-4-amine is sourced from PubChem (CID 64504358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).