(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride

C14H20Cl2FN — CID 171228747

IUPAC(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride
SMILESCc1ccc(Cl)c([C@@H](N)C2CCCCC2)c1F.Cl
InChIInChI=1S/C14H19ClFN.ClH/c1-9-7-8-11(15)12(13(9)16)14(17)10-5-3-2-4-6-10;/h7-8,10,14H,2-6,17H2,1H3;1H/t14-;/m0./s1
InChIKeyFJYATMUSFDYQJZ-UQKRIMTDSA-N
MW292.22 g/mol
LogP4.79
Rot. Bonds2

About (S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride

(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride (PubChem CID 171228747) has the molecular formula C14H20Cl2FN and a molecular weight of 292.22 g/mol. Its IUPAC name is (S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride
PubChem CID171228747
Molecular FormulaC14H20Cl2FN
Molecular Weight292.22 g/mol
Exact Mass291.10
IUPAC Name(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride
SMILESCc1ccc(Cl)c([C@@H](N)C2CCCCC2)c1F.Cl
InChIInChI=1S/C14H19ClFN.ClH/c1-9-7-8-11(15)12(13(9)16)14(17)10-5-3-2-4-6-10;/h7-8,10,14H,2-6,17H2,1H3;1H/t14-;/m0./s1
InChIKeyFJYATMUSFDYQJZ-UQKRIMTDSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171235278
(R)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171215645
(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171210736
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine
CID 171209698
(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433
2-[(S)-amino(cyclohexyl)methyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253546
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine
CID 131293734
(S)-cyclobutyl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
CID 171232393
(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride
CID 171209273

Frequently Asked Questions

What is the IUPAC name of (S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride?
The IUPAC name of (S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride (CID 171228747) is (S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride?
The canonical SMILES for (S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride is Cc1ccc(Cl)c([C@@H](N)C2CCCCC2)c1F.Cl.
What is the InChIKey of (S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride?
The InChIKey is FJYATMUSFDYQJZ-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H19ClFN.ClH/c1-9-7-8-11(15)12(13(9)16)14(17)10-5-3-2-4-6-10;/h7-8,10,14H,2-6,17H2,1H3;1H/t14-;/m0./s1.
What are the key properties of (S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride?
(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride has a molecular weight of 292.22 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride is sourced from PubChem (CID 171228747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).