N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine

C14H18F3N — CID 113348726

IUPACN-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCC1(C)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-10(18-9-13(2)7-8-13)11-5-3-4-6-12(11)14(15,16)17/h3-6,10,18H,7-9H2,1-2H3
InChIKeyYJENGEGLLDGTCF-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.16
Rot. Bonds4

About N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine

N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 113348726) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID113348726
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCC1(C)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-10(18-9-13(2)7-8-13)11-5-3-4-6-12(11)14(15,16)17/h3-6,10,18H,7-9H2,1-2H3
InChIKeyYJENGEGLLDGTCF-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 54931550
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine
CID 63452516
(1R)-1-(2-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81379729
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75427916
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 82706107
N-(thian-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 80601126
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
N',N'-diethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 43106993
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43096041
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 113348726) is N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine is CC(NCC1(C)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is YJENGEGLLDGTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-10(18-9-13(2)7-8-13)11-5-3-4-6-12(11)14(15,16)17/h3-6,10,18H,7-9H2,1-2H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 257.30 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 113348726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).