(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride

C13H19ClFN — CID 171199156

IUPAC(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C13H18FN.ClH/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10;/h4,7-10,13H,1-3,5-6,15H2;1H/t13-;/m1./s1
InChIKeyXPHKTVHZHUVULZ-BTQNPOSSSA-N
MW243.75 g/mol
LogP3.83
Rot. Bonds2

About (R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride

(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride (PubChem CID 171199156) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is (R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
PubChem CID171199156
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C13H18FN.ClH/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10;/h4,7-10,13H,1-3,5-6,15H2;1H/t13-;/m1./s1
InChIKeyXPHKTVHZHUVULZ-BTQNPOSSSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937261
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
CID 171204514
(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
CID 95255362
(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
CID 171230172
(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
CID 171231604
(S)-(3-bromophenyl)-cyclohexylmethanamine
CID 93312550
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
(S)-(4-bromo-3-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171221330
cyclohexyl(phenyl)methanamine
CID 11064121
(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171201791
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride (CID 171199156) is (R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride is Cl.N[C@@H](c1cccc(F)c1)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride?
The InChIKey is XPHKTVHZHUVULZ-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H18FN.ClH/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10;/h4,7-10,13H,1-3,5-6,15H2;1H/t13-;/m1./s1.
What are the key properties of (R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride?
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride has a molecular weight of 243.75 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171199156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).