(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine

C14H15F6N — CID 171229856

IUPAC(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
SMILESN[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H15F6N/c15-13(16,17)9-5-6-10(11(7-9)14(18,19)20)12(21)8-3-1-2-4-8/h5-8,12H,1-4,21H2/t12-/m0/s1
InChIKeyFSTGQTHSWDEEMD-LBPRGKRZSA-N
MW311.27 g/mol
LogP4.91
Rot. Bonds2

About (S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine

(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine (PubChem CID 171229856) has the molecular formula C14H15F6N and a molecular weight of 311.27 g/mol. Its IUPAC name is (S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine.

Molecular Properties

Compound Name(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
PubChem CID171229856
Molecular FormulaC14H15F6N
Molecular Weight311.27 g/mol
Exact Mass311.11
IUPAC Name(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
SMILESN[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H15F6N/c15-13(16,17)9-5-6-10(11(7-9)14(18,19)20)12(21)8-3-1-2-4-8/h5-8,12H,1-4,21H2/t12-/m0/s1
InChIKeyFSTGQTHSWDEEMD-LBPRGKRZSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171227119
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171228434
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(R)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131415856
(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131397243

Frequently Asked Questions

What is the IUPAC name of (S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine?
The IUPAC name of (S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine (CID 171229856) is (S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine.
What is the SMILES notation for (S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine?
The canonical SMILES for (S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine is N[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)C1CCCC1.
What is the InChIKey of (S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine?
The InChIKey is FSTGQTHSWDEEMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15F6N/c15-13(16,17)9-5-6-10(11(7-9)14(18,19)20)12(21)8-3-1-2-4-8/h5-8,12H,1-4,21H2/t12-/m0/s1.
What are the key properties of (S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine?
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine has a molecular weight of 311.27 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine is sourced from PubChem (CID 171229856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).