(3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine

C15H18F3NO — CID 99823064

IUPAC(3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine
SMILESFC(F)(F)c1ccc(C2(CN[C@H]3CCOC3)CC2)cc1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)12-3-1-11(2-4-12)14(6-7-14)10-19-13-5-8-20-9-13/h1-4,13,19H,5-10H2/t13-/m0/s1
InChIKeyUUUUBZKLXBDCME-ZDUSSCGKSA-N
MW285.31 g/mol
LogP3.12
Rot. Bonds4

About (3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine

(3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine (PubChem CID 99823064) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is (3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine
PubChem CID99823064
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name(3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine
SMILESFC(F)(F)c1ccc(C2(CN[C@H]3CCOC3)CC2)cc1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)12-3-1-11(2-4-12)14(6-7-14)10-19-13-5-8-20-9-13/h1-4,13,19H,5-10H2/t13-/m0/s1
InChIKeyUUUUBZKLXBDCME-ZDUSSCGKSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine 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

(3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine
CID 124513857
(3R)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]oxolan-3-amine
CID 125448466
N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide
CID 167854616
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563
(3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide
CID 99826674
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 126813305
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 27453183
N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine
CID 62594253
N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine
CID 114042727
N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 99828587
N-[[2-(4-bromophenyl)-7-oxaspiro[3.5]nonan-2-yl]methyl]cyclopropanamine
CID 65006458

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine (CID 99823064) is (3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine is FC(F)(F)c1ccc(C2(CN[C@H]3CCOC3)CC2)cc1.
What is the InChIKey of (3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine?
The InChIKey is UUUUBZKLXBDCME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)12-3-1-11(2-4-12)14(6-7-14)10-19-13-5-8-20-9-13/h1-4,13,19H,5-10H2/t13-/m0/s1.
What are the key properties of (3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine?
(3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine has a molecular weight of 285.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine is sourced from PubChem (CID 99823064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).