N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine

C12H14F3NO — CID 71648276

IUPACN-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
SMILESCOc1ccccc1CN(C1CC1)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-17-11-5-3-2-4-9(11)8-16(10-6-7-10)12(13,14)15/h2-5,10H,6-8H2,1H3
InChIKeyLQJGERZTKMLGAA-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.18
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine

N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine (PubChem CID 71648276) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
PubChem CID71648276
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
SMILESCOc1ccccc1CN(C1CC1)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-17-11-5-3-2-4-9(11)8-16(10-6-7-10)12(13,14)15/h2-5,10H,6-8H2,1H3
InChIKeyLQJGERZTKMLGAA-UHFFFAOYSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 80666884
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
N-cyclopropyl-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
CID 110024904
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 62735211
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552881
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374
4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935
2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide
CID 54872454
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120621349

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine (CID 71648276) is N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine is COc1ccccc1CN(C1CC1)C(F)(F)F.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The InChIKey is LQJGERZTKMLGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-17-11-5-3-2-4-9(11)8-16(10-6-7-10)12(13,14)15/h2-5,10H,6-8H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine has a molecular weight of 245.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine is sourced from PubChem (CID 71648276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).