2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine

C14H18F3NO — CID 103700140

IUPAC2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)(NCc1cccc(OC(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H18F3NO/c1-13(2,11-6-7-11)18-9-10-4-3-5-12(8-10)19-14(15,16)17/h3-5,8,11,18H,6-7,9H2,1-2H3
InChIKeyXQYZKNDUGVFUDF-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.86
Rot. Bonds5

About 2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine

2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine (PubChem CID 103700140) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine
PubChem CID103700140
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)(NCc1cccc(OC(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H18F3NO/c1-13(2,11-6-7-11)18-9-10-4-3-5-12(8-10)19-14(15,16)17/h3-5,8,11,18H,6-7,9H2,1-2H3
InChIKeyXQYZKNDUGVFUDF-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine
CID 107470447
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104561
3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine
CID 103720846
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106127419
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 103081758
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine
CID 107104507
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
2-methyl-2-methylsulfanyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 103711426

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine (CID 103700140) is 2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine is CC(C)(NCc1cccc(OC(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is XQYZKNDUGVFUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-13(2,11-6-7-11)18-9-10-4-3-5-12(8-10)19-14(15,16)17/h3-5,8,11,18H,6-7,9H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine?
2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 273.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 103700140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).