(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride

C12H16BrCl2N — CID 171222569

IUPAC(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(Cl)c(Br)c1)C1CCCC1
InChIInChI=1S/C12H15BrClN.ClH/c13-10-7-9(5-6-11(10)14)12(15)8-3-1-2-4-8;/h5-8,12H,1-4,15H2;1H/t12-;/m0./s1
InChIKeyQLPUUVRGZKIPJF-YDALLXLXSA-N
MW325.08 g/mol
LogP4.71
Rot. Bonds2

About (S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride

(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride (PubChem CID 171222569) has the molecular formula C12H16BrCl2N and a molecular weight of 325.08 g/mol. Its IUPAC name is (S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
PubChem CID171222569
Molecular FormulaC12H16BrCl2N
Molecular Weight325.08 g/mol
Exact Mass322.98
IUPAC Name(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(Cl)c(Br)c1)C1CCCC1
InChIInChI=1S/C12H15BrClN.ClH/c13-10-7-9(5-6-11(10)14)12(15)8-3-1-2-4-8;/h5-8,12H,1-4,15H2;1H/t12-;/m0./s1
InChIKeyQLPUUVRGZKIPJF-YDALLXLXSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.08
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
(4-bromo-3-chlorophenyl)-cyclobutylmethanamine
CID 112630976
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol
CID 171267801
(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine
CID 115566736
(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171201791
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(S)-(4-bromo-3-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171221330
(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171267796
(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
CID 130054470
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
CID 131581688
(3-bromo-4-chlorophenyl)-cyclopropylmethanol
CID 115566480

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride?
The IUPAC name of (S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride (CID 171222569) is (S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride?
The canonical SMILES for (S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride is Cl.N[C@H](c1ccc(Cl)c(Br)c1)C1CCCC1.
What is the InChIKey of (S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride?
The InChIKey is QLPUUVRGZKIPJF-YDALLXLXSA-N. The full InChI is InChI=1S/C12H15BrClN.ClH/c13-10-7-9(5-6-11(10)14)12(15)8-3-1-2-4-8;/h5-8,12H,1-4,15H2;1H/t12-;/m0./s1.
What are the key properties of (S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride?
(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride has a molecular weight of 325.08 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride is sourced from PubChem (CID 171222569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).