(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride

C13H17ClF3N — CID 171226251

IUPAC(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1ccccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H16F3N.ClH/c14-13(15,16)11-8-4-3-7-10(11)12(17)9-5-1-2-6-9;/h3-4,7-9,12H,1-2,5-6,17H2;1H/t12-;/m0./s1
InChIKeyBMAMOFQOLFITAV-YDALLXLXSA-N
MW279.73 g/mol
LogP4.32
Rot. Bonds2

About (S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride

(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 171226251) has the molecular formula C13H17ClF3N and a molecular weight of 279.73 g/mol. Its IUPAC name is (S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID171226251
Molecular FormulaC13H17ClF3N
Molecular Weight279.73 g/mol
Exact Mass279.10
IUPAC Name(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1ccccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H16F3N.ClH/c14-13(15,16)11-8-4-3-7-10(11)12(17)9-5-1-2-6-9;/h3-4,7-9,12H,1-2,5-6,17H2;1H/t12-;/m0./s1
InChIKeyBMAMOFQOLFITAV-YDALLXLXSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171227390
(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171227119
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115997940
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride
CID 171211805
(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171231037
thiolan-2-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 80621510

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 171226251) is (S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.N[C@H](c1ccccc1C(F)(F)F)C1CCCC1.
What is the InChIKey of (S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is BMAMOFQOLFITAV-YDALLXLXSA-N. The full InChI is InChI=1S/C13H16F3N.ClH/c14-13(15,16)11-8-4-3-7-10(11)12(17)9-5-1-2-6-9;/h3-4,7-9,12H,1-2,5-6,17H2;1H/t12-;/m0./s1.
What are the key properties of (S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 279.73 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171226251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).