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

C12H16F3N — CID 58900711

IUPAC(1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
SMILESCCN[C@@H](C)c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N/c1-4-16-9(3)10-5-8(2)6-11(7-10)12(13,14)15/h5-7,9,16H,4H2,1-3H3/t9-/m0/s1
InChIKeyKAZCPRWFSVJFPO-VIFPVBQESA-N
MW231.26 g/mol
LogP3.68
Rot. Bonds3

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

(1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine (PubChem CID 58900711) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is (1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
PubChem CID58900711
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name(1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
SMILESCCN[C@@H](C)c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N/c1-4-16-9(3)10-5-8(2)6-11(7-10)12(13,14)15/h5-7,9,16H,4H2,1-3H3/t9-/m0/s1
InChIKeyKAZCPRWFSVJFPO-VIFPVBQESA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 118313294
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2,2-difluoroethanamine
CID 115405734
1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine
CID 142869598
[3-methyl-5-(trifluoromethyl)phenyl]methanediamine
CID 156527532
N-[1-(3,5-dimethylphenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81343670
N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 59711097
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine
CID 115781012
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 82685028
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 118492024
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
N-ethyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine;sulfane
CID 159193916
N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline
CID 118333519

Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine (CID 58900711) is (1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine is CCN[C@@H](C)c1cc(C)cc(C(F)(F)F)c1.
What is the InChIKey of (1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is KAZCPRWFSVJFPO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F3N/c1-4-16-9(3)10-5-8(2)6-11(7-10)12(13,14)15/h5-7,9,16H,4H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine?
(1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 231.26 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 58900711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).