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

C12H16F3N — CID 58900722

IUPACN-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(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
InChIKeyKAZCPRWFSVJFPO-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.68
Rot. Bonds3

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

N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine (PubChem CID 58900722) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
PubChem CID58900722
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(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
InChIKeyKAZCPRWFSVJFPO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine (CID 58900722) is N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine is CCNC(C)c1cc(C)cc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is KAZCPRWFSVJFPO-UHFFFAOYSA-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.
What are the key properties of N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine?
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 N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 58900722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).