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

C15H18F3NO — CID 103864489

IUPAC2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
SMILESFC(F)(F)c1ccc(CNC2CCOC2C2CC2)cc1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)12-5-1-10(2-6-12)9-19-13-7-8-20-14(13)11-3-4-11/h1-2,5-6,11,13-14,19H,3-4,7-9H2
InChIKeyZGHJEKQSMMCJRE-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.36
Rot. Bonds4

About 2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine

2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine (PubChem CID 103864489) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
PubChem CID103864489
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
SMILESFC(F)(F)c1ccc(CNC2CCOC2C2CC2)cc1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)12-5-1-10(2-6-12)9-19-13-7-8-20-14(13)11-3-4-11/h1-2,5-6,11,13-14,19H,3-4,7-9H2
InChIKeyZGHJEKQSMMCJRE-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
CID 103864589
2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine
CID 103864424
2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
CID 103864488
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103923929
N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364574
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
2-cyclopropyl-N-[(2-fluorophenyl)methyl]oxolan-3-amine
CID 103864475
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 103864389
2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62879600

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine (CID 103864489) is 2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine is FC(F)(F)c1ccc(CNC2CCOC2C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
The InChIKey is ZGHJEKQSMMCJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)12-5-1-10(2-6-12)9-19-13-7-8-20-14(13)11-3-4-11/h1-2,5-6,11,13-14,19H,3-4,7-9H2.
What are the key properties of 2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine has a molecular weight of 285.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine is sourced from PubChem (CID 103864489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).