(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine

C11H15BrClN — CID 171222556

IUPAC(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine
SMILESCCCC[C@H](N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H15BrClN/c1-2-3-4-11(14)8-5-6-10(13)9(12)7-8/h5-7,11H,2-4,14H2,1H3/t11-/m0/s1
InChIKeyTWXFDCBPNCNHCF-NSHDSACASA-N
MW276.60 g/mol
LogP4.29
Rot. Bonds4

About (1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine

(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine (PubChem CID 171222556) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is (1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine
PubChem CID171222556
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine
SMILESCCCC[C@H](N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H15BrClN/c1-2-3-4-11(14)8-5-6-10(13)9(12)7-8/h5-7,11H,2-4,14H2,1H3/t11-/m0/s1
InChIKeyTWXFDCBPNCNHCF-NSHDSACASA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-chlorophenyl)octan-1-amine
CID 115566673
1-(3-bromo-4-chlorophenyl)heptan-1-amine
CID 115566954
(1S)-1-(3-bromo-4-chlorophenyl)hexan-1-amine;hydrochloride
CID 171222559
(1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
CID 171202987
(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride
CID 171203024
(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
CID 171231485
(1S)-1-(3-bromo-4-fluorophenyl)pentan-1-amine
CID 146013246
(1S)-1-(3,4-dibromophenyl)hexan-1-amine
CID 171235073
(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171200915
1-(3-bromo-4-chlorophenyl)undecan-1-ol
CID 115566565
1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
CID 115567747
(1R)-1-(3-bromo-4-chlorophenyl)-2-methoxyethanamine
CID 131168794

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine?
The IUPAC name of (1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine (CID 171222556) is (1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine.
What is the SMILES notation for (1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine?
The canonical SMILES for (1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine is CCCC[C@H](N)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine?
The InChIKey is TWXFDCBPNCNHCF-NSHDSACASA-N. The full InChI is InChI=1S/C11H15BrClN/c1-2-3-4-11(14)8-5-6-10(13)9(12)7-8/h5-7,11H,2-4,14H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine?
(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine has a molecular weight of 276.60 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine is sourced from PubChem (CID 171222556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).