1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine

C14H16F3N3 — CID 79761514

IUPAC1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCn1ccnc1CC(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3/c1-20-6-5-19-13(20)9-12(18)8-10-3-2-4-11(7-10)14(15,16)17/h2-7,12H,8-9,18H2,1H3
InChIKeyHDIXEYBGERNPAH-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.55
Rot. Bonds4

About 1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine

1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 79761514) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID79761514
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCn1ccnc1CC(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3/c1-20-6-5-19-13(20)9-12(18)8-10-3-2-4-11(7-10)14(15,16)17/h2-7,12H,8-9,18H2,1H3
InChIKeyHDIXEYBGERNPAH-UHFFFAOYSA-N
XLogP2.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 112727320
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 112844022
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
1-tert-butylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65132993
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123435
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
(3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 95539312
1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103214868
N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62955935

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 79761514) is 1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine is Cn1ccnc1CC(N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is HDIXEYBGERNPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-20-6-5-19-13(20)9-12(18)8-10-3-2-4-11(7-10)14(15,16)17/h2-7,12H,8-9,18H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 283.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 79761514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).