(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine

C13H17BrClN — CID 171223645

IUPAC(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
SMILESN[C@H](c1ccc(Br)cc1Cl)C1CCCCC1
InChIInChI=1S/C13H17BrClN/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h6-9,13H,1-5,16H2/t13-/m0/s1
InChIKeySYIZMAPDSJRILH-ZDUSSCGKSA-N
MW302.64 g/mol
LogP4.68
Rot. Bonds2

About (S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine

(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine (PubChem CID 171223645) has the molecular formula C13H17BrClN and a molecular weight of 302.64 g/mol. Its IUPAC name is (S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
PubChem CID171223645
Molecular FormulaC13H17BrClN
Molecular Weight302.64 g/mol
Exact Mass301.02
IUPAC Name(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
SMILESN[C@H](c1ccc(Br)cc1Cl)C1CCCCC1
InChIInChI=1S/C13H17BrClN/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h6-9,13H,1-5,16H2/t13-/m0/s1
InChIKeySYIZMAPDSJRILH-ZDUSSCGKSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.64
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 112631034
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
2-[(S)-amino(cyclopentyl)methyl]-4-bromo-6-chlorophenol
CID 131586539
4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171212641
2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol
CID 130901915
(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268

Frequently Asked Questions

What is the IUPAC name of (S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine?
The IUPAC name of (S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine (CID 171223645) is (S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine.
What is the SMILES notation for (S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine?
The canonical SMILES for (S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine is N[C@H](c1ccc(Br)cc1Cl)C1CCCCC1.
What is the InChIKey of (S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine?
The InChIKey is SYIZMAPDSJRILH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17BrClN/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h6-9,13H,1-5,16H2/t13-/m0/s1.
What are the key properties of (S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine?
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine has a molecular weight of 302.64 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine is sourced from PubChem (CID 171223645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).