(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride

C11H16BrCl2N — CID 171204059

IUPAC(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C11H15BrClN.ClH/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13;/h5-7,11H,2-4,14H2,1H3;1H/t11-;/m1./s1
InChIKeyGCKVPQNNLQIPFC-RFVHGSKJSA-N
MW313.07 g/mol
LogP4.71
Rot. Bonds4

About (1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride

(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride (PubChem CID 171204059) has the molecular formula C11H16BrCl2N and a molecular weight of 313.07 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
PubChem CID171204059
Molecular FormulaC11H16BrCl2N
Molecular Weight313.07 g/mol
Exact Mass310.98
IUPAC Name(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C11H15BrClN.ClH/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13;/h5-7,11H,2-4,14H2,1H3;1H/t11-;/m1./s1
InChIKeyGCKVPQNNLQIPFC-RFVHGSKJSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-bromo-2-chlorophenyl)hexan-1-amine
CID 171223632
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
CID 155888152
2-[(1S)-1-aminohexyl]-5-bromophenol;hydrochloride
CID 171224277
1-(4-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115845773
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 82780047
(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 130839573
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
(1R)-1-(5-bromo-2-methylphenyl)hexan-1-amine;hydrochloride
CID 171203851
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171223655
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502648

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride (CID 171204059) is (1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1ccc(Br)cc1Cl.Cl.
What is the InChIKey of (1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride?
The InChIKey is GCKVPQNNLQIPFC-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H15BrClN.ClH/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13;/h5-7,11H,2-4,14H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride?
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride has a molecular weight of 313.07 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171204059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).