1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine

C12H16F3NO — CID 43489403

IUPAC1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1ccc(OCC)cc1)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-3-16-11(12(13,14)15)9-5-7-10(8-6-9)17-4-2/h5-8,11,16H,3-4H2,1-2H3
InChIKeyHLBSYPGOHXLELQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.30
Rot. Bonds5

About 1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine

1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 43489403) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID43489403
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1ccc(OCC)cc1)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-3-16-11(12(13,14)15)9-5-7-10(8-6-9)17-4-2/h5-8,11,16H,3-4H2,1-2H3
InChIKeyHLBSYPGOHXLELQ-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761096
1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43488624
1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 105145927
1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
CID 43489470
2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine
CID 79299162
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 66205361
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899798
1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 43197123
1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61100045

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine (CID 43489403) is 1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine is CCNC(c1ccc(OCC)cc1)C(F)(F)F.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is HLBSYPGOHXLELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-16-11(12(13,14)15)9-5-7-10(8-6-9)17-4-2/h5-8,11,16H,3-4H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine?
1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 247.26 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43489403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).