trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine

C12H14F3N — CID 94603915

IUPACtrans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
SMILESN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-6-2-1-4-8(10)9-5-3-7-11(9)16/h1-2,4,6,9,11H,3,5,7,16H2/t9-,11+/m1/s1
InChIKeyMTTDMGKJIKPRFW-KOLCDFICSA-N
MW229.25 g/mol
LogP3.30
Rot. Bonds1

About trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine

trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine (PubChem CID 94603915) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
PubChem CID94603915
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Nametrans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
SMILESN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-6-2-1-4-8(10)9-5-3-7-11(9)16/h1-2,4,6,9,11H,3,5,7,16H2/t9-,11+/m1/s1
InChIKeyMTTDMGKJIKPRFW-KOLCDFICSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 94603912
2-(2-fluorophenyl)cyclopentan-1-amine
CID 62605662
4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81013823
4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014823
cis-(1R,2R)-2-(2-chlorophenyl)cyclopentan-1-amine
CID 94869146
[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 44572757
1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 118271900
1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
CID 118593677
(1S,2S,4S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 139433627
1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
CID 130539881
trans-(1S,2S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;dihydrochloride
CID 161413657
N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
CID 81032598

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The IUPAC name of trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine (CID 94603915) is trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine is N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The InChIKey is MTTDMGKJIKPRFW-KOLCDFICSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)10-6-2-1-4-8(10)9-5-3-7-11(9)16/h1-2,4,6,9,11H,3,5,7,16H2/t9-,11+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine?
trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine has a molecular weight of 229.25 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 94603915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).