(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride

C13H18Cl2FN — CID 171202097

IUPAC(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(Cl)ccc1F)C1CCCCC1
InChIInChI=1S/C13H17ClFN.ClH/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9;/h6-9,13H,1-5,16H2;1H/t13-;/m1./s1
InChIKeyYNJXRCUJKREAPV-BTQNPOSSSA-N
MW278.20 g/mol
LogP4.48
Rot. Bonds2

About (R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride

(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride (PubChem CID 171202097) has the molecular formula C13H18Cl2FN and a molecular weight of 278.20 g/mol. Its IUPAC name is (R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
PubChem CID171202097
Molecular FormulaC13H18Cl2FN
Molecular Weight278.20 g/mol
Exact Mass277.08
IUPAC Name(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(Cl)ccc1F)C1CCCCC1
InChIInChI=1S/C13H17ClFN.ClH/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9;/h6-9,13H,1-5,16H2;1H/t13-;/m1./s1
InChIKeyYNJXRCUJKREAPV-BTQNPOSSSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
2-[(S)-amino(cyclohexyl)methyl]-4-chloro-6-fluorophenol
CID 171255942
2-[(S)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171233850
2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171214222
(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
CID 171216193
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140

Frequently Asked Questions

What is the IUPAC name of (R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride?
The IUPAC name of (R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride (CID 171202097) is (R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride?
The canonical SMILES for (R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride is Cl.N[C@@H](c1cc(Cl)ccc1F)C1CCCCC1.
What is the InChIKey of (R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride?
The InChIKey is YNJXRCUJKREAPV-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H17ClFN.ClH/c14-10-6-7-12(15)11(8-10)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)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride?
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride has a molecular weight of 278.20 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride is sourced from PubChem (CID 171202097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).