[1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol

C14H18F3NO — CID 115454270

IUPAC[1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol
SMILESOCC1(CNC(CC(F)(F)F)c2ccccc2)CC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)8-12(11-4-2-1-3-5-11)18-9-13(10-19)6-7-13/h1-5,12,18-19H,6-10H2
InChIKeyIKYBOYNUQDBRDD-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.04
Rot. Bonds6

About [1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol

[1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol (PubChem CID 115454270) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol
PubChem CID115454270
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol
SMILESOCC1(CNC(CC(F)(F)F)c2ccccc2)CC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)8-12(11-4-2-1-3-5-11)18-9-13(10-19)6-7-13/h1-5,12,18-19H,6-10H2
InChIKeyIKYBOYNUQDBRDD-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol
CID 115454441
2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
CID 106172903
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
CID 103913358
N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 63448133
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
CID 107151412
N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine
CID 43760194
3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895245
[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol
CID 115358847
2-[(3,3,3-trifluoro-1-phenylpropyl)amino]butan-1-ol
CID 43771162
3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 61020486

Frequently Asked Questions

What is the IUPAC name of [1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol (CID 115454270) is [1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol is OCC1(CNC(CC(F)(F)F)c2ccccc2)CC1.
What is the InChIKey of [1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol?
The InChIKey is IKYBOYNUQDBRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)8-12(11-4-2-1-3-5-11)18-9-13(10-19)6-7-13/h1-5,12,18-19H,6-10H2.
What are the key properties of [1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol?
[1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol has a molecular weight of 273.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).