1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C13H16F3N — CID 65422341

IUPAC1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CC1C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3N/c1-8-5-11(8)12(17)7-9-3-2-4-10(6-9)13(14,15)16/h2-4,6,8,11-12H,5,7,17H2,1H3
InChIKeyYTYDSBHPGZYUGJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.23
Rot. Bonds3

About 1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 65422341) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID65422341
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CC1C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3N/c1-8-5-11(8)12(17)7-9-3-2-4-10(6-9)13(14,15)16/h2-4,6,8,11-12H,5,7,17H2,1H3
InChIKeyYTYDSBHPGZYUGJ-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65415364
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107188138
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
1-(2-methylcyclopropyl)-2-naphthalen-2-ylethanamine
CID 61079933
1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106444508
1-(1,4-oxathian-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79962815
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 65422341) is 1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is CC1CC1C(N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is YTYDSBHPGZYUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-8-5-11(8)12(17)7-9-3-2-4-10(6-9)13(14,15)16/h2-4,6,8,11-12H,5,7,17H2,1H3.
What are the key properties of 1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 243.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 65422341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).