N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine

C12H16F3N — CID 43185231

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
SMILESCc1ccc(C(C)NCC(F)(F)F)c(C)c1
InChIInChI=1S/C12H16F3N/c1-8-4-5-11(9(2)6-8)10(3)16-7-12(13,14)15/h4-6,10,16H,7H2,1-3H3
InChIKeyOUULMWKOUVBOFW-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.52
Rot. Bonds3

About N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine

N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 43185231) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID43185231
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
SMILESCc1ccc(C(C)NCC(F)(F)F)c(C)c1
InChIInChI=1S/C12H16F3N/c1-8-4-5-11(9(2)6-8)10(3)16-7-12(13,14)15/h4-6,10,16H,7H2,1-3H3
InChIKeyOUULMWKOUVBOFW-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 54892774
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 61067503
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
CID 63448800
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43200476
1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780969

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine (CID 43185231) is N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine is Cc1ccc(C(C)NCC(F)(F)F)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is OUULMWKOUVBOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-8-4-5-11(9(2)6-8)10(3)16-7-12(13,14)15/h4-6,10,16H,7H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine?
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 231.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43185231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).