N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine

C12H14F3NO — CID 134817377

IUPACN-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(C(F)(F)F)cc1CNC1CC1
InChIInChI=1S/C12H14F3NO/c1-17-11-5-2-9(12(13,14)15)6-8(11)7-16-10-3-4-10/h2,5-6,10,16H,3-4,7H2,1H3
InChIKeyWVFZWKKDWAALRT-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.97
Rot. Bonds4

About N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine

N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine (PubChem CID 134817377) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine
PubChem CID134817377
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(C(F)(F)F)cc1CNC1CC1
InChIInChI=1S/C12H14F3NO/c1-17-11-5-2-9(12(13,14)15)6-8(11)7-16-10-3-4-10/h2,5-6,10,16H,3-4,7H2,1H3
InChIKeyWVFZWKKDWAALRT-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
2-benzhydryl-N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.1]heptan-3-amine
CID 57067397
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509624
4-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509707
N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxan-4-amine
CID 162340810
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone
CID 87719605

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine (CID 134817377) is N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine is COc1ccc(C(F)(F)F)cc1CNC1CC1.
What is the InChIKey of N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is WVFZWKKDWAALRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-17-11-5-2-9(12(13,14)15)6-8(11)7-16-10-3-4-10/h2,5-6,10,16H,3-4,7H2,1H3.
What are the key properties of N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 245.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 134817377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).