N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine

C12H14F3N — CID 62114541

IUPACN-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
SMILESFC(F)(F)c1ccc(CCNC2CC2)cc1
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-3-1-9(2-4-10)7-8-16-11-5-6-11/h1-4,11,16H,5-8H2
InChIKeyIWFXKAGUCGSXBX-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.00
Rot. Bonds4

About N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine

N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine (PubChem CID 62114541) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
PubChem CID62114541
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC NameN-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
SMILESFC(F)(F)c1ccc(CCNC2CC2)cc1
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-3-1-9(2-4-10)7-8-16-11-5-6-11/h1-4,11,16H,5-8H2
InChIKeyIWFXKAGUCGSXBX-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105347883
N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 81019662
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
CID 126728159
N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 81026989
N-[[4-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 60699978
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
CID 83150966
2-[4-(trifluoromethyl)phenyl]ethylcyanamide
CID 162536866

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine (CID 62114541) is N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine is FC(F)(F)c1ccc(CCNC2CC2)cc1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine?
The InChIKey is IWFXKAGUCGSXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)10-3-1-9(2-4-10)7-8-16-11-5-6-11/h1-4,11,16H,5-8H2.
What are the key properties of N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine?
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine has a molecular weight of 229.25 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 62114541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).