N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine

C12H14F3N — CID 71634575

IUPACN-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
SMILESCc1cccc(CN(C2CC2)C(F)(F)F)c1
InChIInChI=1S/C12H14F3N/c1-9-3-2-4-10(7-9)8-16(11-5-6-11)12(13,14)15/h2-4,7,11H,5-6,8H2,1H3
InChIKeyIMYLSMWCOXEHMA-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.48
Rot. Bonds3

About N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine

N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine (PubChem CID 71634575) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
PubChem CID71634575
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC NameN-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
SMILESCc1cccc(CN(C2CC2)C(F)(F)F)c1
InChIInChI=1S/C12H14F3N/c1-9-3-2-4-10(7-9)8-16(11-5-6-11)12(13,14)15/h2-4,7,11H,5-6,8H2,1H3
InChIKeyIMYLSMWCOXEHMA-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71648928
N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71648779
N-[(3-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650369
N-benzyl-N-(trifluoromethyl)cyclohexanamine
CID 175316581
1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol
CID 24714412
N-benzyl-N-cyclohexyl-3-methylaniline
CID 21396776
1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 42837050
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
trans-(1R,2R)-1-N,1-N,2-N-tribenzyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 102466161
1-N,3-N-dimethyl-3-N-[(3-methylphenyl)methyl]cyclopentane-1,3-diamine
CID 79643539
3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one
CID 79619185
(E)-4-[cyclopropyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 39360084

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The IUPAC name of N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine (CID 71634575) is N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine is Cc1cccc(CN(C2CC2)C(F)(F)F)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The InChIKey is IMYLSMWCOXEHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-9-3-2-4-10(7-9)8-16(11-5-6-11)12(13,14)15/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine has a molecular weight of 229.25 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine is sourced from PubChem (CID 71634575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).