(S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol

C17H22F3NO2 — CID 71522264

IUPAC(S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
SMILESN[C@H]1CCC[C@@H]1[C@H](O)C1(c2ccc(OC(F)(F)F)cc2)CCC1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)23-12-7-5-11(6-8-12)16(9-2-10-16)15(22)13-3-1-4-14(13)21/h5-8,13-15,22H,1-4,9-10,21H2/t13-,14-,15-/m0/s1
InChIKeyTXMMKMSHXWZXIU-KKUMJFAQSA-N
MW329.36 g/mol
LogP3.50
Rot. Bonds4

About (S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol

(S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol (PubChem CID 71522264) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol.

Molecular Properties

Compound Name(S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
PubChem CID71522264
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name(S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
SMILESN[C@H]1CCC[C@@H]1[C@H](O)C1(c2ccc(OC(F)(F)F)cc2)CCC1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)23-12-7-5-11(6-8-12)16(9-2-10-16)15(22)13-3-1-4-14(13)21/h5-8,13-15,22H,1-4,9-10,21H2/t13-,14-,15-/m0/s1
InChIKeyTXMMKMSHXWZXIU-KKUMJFAQSA-N
XLogP3.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol 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

pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 56653029
1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129032986
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963371
2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 155757621
2-amino-N-[4-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 64818115
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol
CID 66749821
cis-(1S,2R)-2-hydroxy-1-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 68673345
1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol
CID 11750799
2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 22619922
cis-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888219

Frequently Asked Questions

What is the IUPAC name of (S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
The IUPAC name of (S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol (CID 71522264) is (S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol.
What is the SMILES notation for (S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
The canonical SMILES for (S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol is N[C@H]1CCC[C@@H]1[C@H](O)C1(c2ccc(OC(F)(F)F)cc2)CCC1.
What is the InChIKey of (S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
The InChIKey is TXMMKMSHXWZXIU-KKUMJFAQSA-N. The full InChI is InChI=1S/C17H22F3NO2/c18-17(19,20)23-12-7-5-11(6-8-12)16(9-2-10-16)15(22)13-3-1-4-14(13)21/h5-8,13-15,22H,1-4,9-10,21H2/t13-,14-,15-/m0/s1.
What are the key properties of (S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
(S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol has a molecular weight of 329.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol is sourced from PubChem (CID 71522264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).