(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride

C13H17BrClF2N — CID 171206717

IUPAC(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1c(F)cc(Br)cc1F)C1CCCCC1
InChIInChI=1S/C13H16BrF2N.ClH/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8;/h6-8,13H,1-5,17H2;1H/t13-;/m1./s1
InChIKeyXTNQKOLNCWLNLA-BTQNPOSSSA-N
MW340.64 g/mol
LogP4.73
Rot. Bonds2

About (R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride

(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride (PubChem CID 171206717) has the molecular formula C13H17BrClF2N and a molecular weight of 340.64 g/mol. Its IUPAC name is (R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
PubChem CID171206717
Molecular FormulaC13H17BrClF2N
Molecular Weight340.64 g/mol
Exact Mass339.02
IUPAC Name(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1c(F)cc(Br)cc1F)C1CCCCC1
InChIInChI=1S/C13H16BrF2N.ClH/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8;/h6-8,13H,1-5,17H2;1H/t13-;/m1./s1
InChIKeyXTNQKOLNCWLNLA-BTQNPOSSSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.64
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171226288
(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
CID 28501633
(1S,2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171262994
(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110
(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
CID 131484031
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556
(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine
CID 171230086
(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992584
2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol
CID 131256962
(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol
CID 171268665
(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989591
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739

Frequently Asked Questions

What is the IUPAC name of (R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride?
The IUPAC name of (R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride (CID 171206717) is (R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride?
The canonical SMILES for (R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride is Cl.N[C@@H](c1c(F)cc(Br)cc1F)C1CCCCC1.
What is the InChIKey of (R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride?
The InChIKey is XTNQKOLNCWLNLA-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H16BrF2N.ClH/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8;/h6-8,13H,1-5,17H2;1H/t13-;/m1./s1.
What are the key properties of (R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride?
(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride has a molecular weight of 340.64 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride is sourced from PubChem (CID 171206717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).