2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C14H16F3N3O — CID 75484161

IUPAC2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCOc1ccc(C(NCc2nccn2C)C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-20-8-7-18-12(20)9-19-13(14(15,16)17)10-3-5-11(21-2)6-4-10/h3-8,13,19H,9H2,1-2H3
InChIKeyLADNMFBVSCJWQB-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.82
Rot. Bonds5

About 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 75484161) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID75484161
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCOc1ccc(C(NCc2nccn2C)C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-20-8-7-18-12(20)9-19-13(14(15,16)17)10-3-5-11(21-2)6-4-10/h3-8,13,19H,9H2,1-2H3
InChIKeyLADNMFBVSCJWQB-UHFFFAOYSA-N
XLogP2.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 63002181
(1S)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184376
(1R)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184377
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196
2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 60697211
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 63001649
1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43489403
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 75484161) is 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is COc1ccc(C(NCc2nccn2C)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is LADNMFBVSCJWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-20-8-7-18-12(20)9-19-13(14(15,16)17)10-3-5-11(21-2)6-4-10/h3-8,13,19H,9H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 299.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 75484161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).