N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine

C13H16F3N — CID 118313294

IUPACN-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
SMILESCc1cc(C(C)NC2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3N/c1-8-5-10(9(2)17-12-3-4-12)7-11(6-8)13(14,15)16/h5-7,9,12,17H,3-4H2,1-2H3
InChIKeyIGCGSIWBIJAVQQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.83
Rot. Bonds3

About N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine

N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine (PubChem CID 118313294) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
PubChem CID118313294
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
SMILESCc1cc(C(C)NC2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3N/c1-8-5-10(9(2)17-12-3-4-12)7-11(6-8)13(14,15)16/h5-7,9,12,17H,3-4H2,1-2H3
InChIKeyIGCGSIWBIJAVQQ-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]cyclopentanamine
CID 81300917
(1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
CID 58900711
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
[3-methyl-5-(trifluoromethyl)phenyl]methanediamine
CID 156527532
N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiolan-3-amine
CID 43223825
1,1-dioxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thian-4-amine
CID 43615085
N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine
CID 115718210
N-[1-[4-(trifluoromethyl)phenyl]ethyl]thian-3-amine
CID 62872906
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81355631
3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 103786809
N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 81296653

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine (CID 118313294) is N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine is Cc1cc(C(C)NC2CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine?
The InChIKey is IGCGSIWBIJAVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-8-5-10(9(2)17-12-3-4-12)7-11(6-8)13(14,15)16/h5-7,9,12,17H,3-4H2,1-2H3.
What are the key properties of N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine?
N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine has a molecular weight of 243.27 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 118313294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).