(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride

C14H18ClF4N — CID 171229145

IUPAC(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1cc(C(F)(F)F)ccc1F)C1CCCCC1
InChIInChI=1S/C14H17F4N.ClH/c15-12-7-6-10(14(16,17)18)8-11(12)13(19)9-4-2-1-3-5-9;/h6-9,13H,1-5,19H2;1H/t13-;/m0./s1
InChIKeyMTNAACSNIMXTCZ-ZOWNYOTGSA-N
MW311.75 g/mol
LogP4.85
Rot. Bonds2

About (S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride

(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 171229145) has the molecular formula C14H18ClF4N and a molecular weight of 311.75 g/mol. Its IUPAC name is (S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID171229145
Molecular FormulaC14H18ClF4N
Molecular Weight311.75 g/mol
Exact Mass311.11
IUPAC Name(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1cc(C(F)(F)F)ccc1F)C1CCCCC1
InChIInChI=1S/C14H17F4N.ClH/c15-12-7-6-10(14(16,17)18)8-11(12)13(19)9-4-2-1-3-5-9;/h6-9,13H,1-5,19H2;1H/t13-;/m0./s1
InChIKeyMTNAACSNIMXTCZ-ZOWNYOTGSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 171249581
(1S,2R)-2-amino-1-cyclopentyl-2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171160000
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 171229145) is (S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.N[C@H](c1cc(C(F)(F)F)ccc1F)C1CCCCC1.
What is the InChIKey of (S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is MTNAACSNIMXTCZ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H17F4N.ClH/c15-12-7-6-10(14(16,17)18)8-11(12)13(19)9-4-2-1-3-5-9;/h6-9,13H,1-5,19H2;1H/t13-;/m0./s1.
What are the key properties of (S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 311.75 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171229145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).