(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride

C13H18ClF2N — CID 171204514

IUPAC(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(F)cc(F)c1)C1CCCCC1
InChIInChI=1S/C13H17F2N.ClH/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9;/h6-9,13H,1-5,16H2;1H/t13-;/m1./s1
InChIKeyFXVDEGDTRJJMOQ-BTQNPOSSSA-N
MW261.74 g/mol
LogP3.97
Rot. Bonds2

About (R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride

(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride (PubChem CID 171204514) has the molecular formula C13H18ClF2N and a molecular weight of 261.74 g/mol. Its IUPAC name is (R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
PubChem CID171204514
Molecular FormulaC13H18ClF2N
Molecular Weight261.74 g/mol
Exact Mass261.11
IUPAC Name(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(F)cc(F)c1)C1CCCCC1
InChIInChI=1S/C13H17F2N.ClH/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9;/h6-9,13H,1-5,16H2;1H/t13-;/m1./s1
InChIKeyFXVDEGDTRJJMOQ-BTQNPOSSSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-(3,5-difluorophenyl)methanamine
CID 62789483
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
CID 130054445
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
CID 28501633
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105142128
(S)-(4-bromo-3-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171221330
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
cyclohexyl-(3,5-dichlorophenyl)methanamine
CID 114981427
2-cyclohexyl-2-(3,5-difluorophenyl)ethanamine
CID 79019412
(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171201791

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride (CID 171204514) is (R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride is Cl.N[C@@H](c1cc(F)cc(F)c1)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride?
The InChIKey is FXVDEGDTRJJMOQ-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H17F2N.ClH/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9;/h6-9,13H,1-5,16H2;1H/t13-;/m1./s1.
What are the key properties of (R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride?
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride has a molecular weight of 261.74 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171204514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).