N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine

C14H16F3N3 — CID 63000281

IUPACN-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1cncn1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3/c1-10(19-8-13-7-18-9-20(13)2)11-3-5-12(6-4-11)14(15,16)17/h3-7,9-10,19H,8H2,1-2H3
InChIKeyRDEIXUOPUIVHSW-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.29
Rot. Bonds4

About N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine

N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 63000281) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID63000281
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1cncn1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3/c1-10(19-8-13-7-18-9-20(13)2)11-3-5-12(6-4-11)14(15,16)17/h3-7,9-10,19H,8H2,1-2H3
InChIKeyRDEIXUOPUIVHSW-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997912
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 63002109
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
1-[4-[(1S)-1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 124692405
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
N-(pyrimidin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62748716
(1S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78921600
1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine
CID 99823062
1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997890
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 63000281) is N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine is CC(NCc1cncn1C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is RDEIXUOPUIVHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-10(19-8-13-7-18-9-20(13)2)11-3-5-12(6-4-11)14(15,16)17/h3-7,9-10,19H,8H2,1-2H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 63000281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).