1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine

C12H17BrClN — CID 107945539

IUPAC1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H17BrClN/c1-3-8(2)4-12(15)9-5-10(13)7-11(14)6-9/h5-8,12H,3-4,15H2,1-2H3
InChIKeyCXROJDMIPHMYGJ-UHFFFAOYSA-N
MW290.63 g/mol
LogP4.54
Rot. Bonds4

About 1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine

1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine (PubChem CID 107945539) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine
PubChem CID107945539
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC Name1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H17BrClN/c1-3-8(2)4-12(15)9-5-10(13)7-11(14)6-9/h5-8,12H,3-4,15H2,1-2H3
InChIKeyCXROJDMIPHMYGJ-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-5-chlorophenyl)-3-methylpentan-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

(1R)-1-(3-bromo-5-chlorophenyl)butan-1-amine
CID 130706946
3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol
CID 130002447
(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine
CID 130902077
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
ethyl 2-(3-bromo-5-chlorophenyl)propanoate
CID 57458807
1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine
CID 115845741
1-(3-bromo-5-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 107945285
[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine
CID 107947997
1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107945558
(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
CID 107950848
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114019369

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine (CID 107945539) is 1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine is CCC(C)CC(N)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine?
The InChIKey is CXROJDMIPHMYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN/c1-3-8(2)4-12(15)9-5-10(13)7-11(14)6-9/h5-8,12H,3-4,15H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine?
1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine has a molecular weight of 290.63 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 107945539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).