[3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine

C12H14F3NO — CID 151449542

IUPAC[3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine
SMILESNCc1cc(CC2CC2)cc(OC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)17-11-5-9(3-8-1-2-8)4-10(6-11)7-16/h4-6,8H,1-3,7,16H2
InChIKeyPGFBVYKWDTXITN-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.00
Rot. Bonds4

About [3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine

[3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine (PubChem CID 151449542) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine
PubChem CID151449542
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name[3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine
SMILESNCc1cc(CC2CC2)cc(OC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)17-11-5-9(3-8-1-2-8)4-10(6-11)7-16/h4-6,8H,1-3,7,16H2
InChIKeyPGFBVYKWDTXITN-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride
CID 171365357
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458
2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol
CID 170887317
N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 64505434
[4-(cyclopropylmethyl)furan-2-yl]methanamine
CID 96635997
N-[[3-(cyclopropylmethoxy)-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 175176895
2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene
CID 21363214
3-[3-(cyclohexylmethylsulfonyl)-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 150328045
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106127419
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 156612410

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of [3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine (CID 151449542) is [3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for [3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for [3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine is NCc1cc(CC2CC2)cc(OC(F)(F)F)c1.
What is the InChIKey of [3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is PGFBVYKWDTXITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)17-11-5-9(3-8-1-2-8)4-10(6-11)7-16/h4-6,8H,1-3,7,16H2.
What are the key properties of [3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine?
[3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 245.24 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 151449542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).