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

C15H18F3N3 — CID 61316143

IUPACN-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C(F)(F)F)c1nccn1C
InChIInChI=1S/C15H18F3N3/c1-3-8-19-13(14-20-9-10-21(14)2)11-6-4-5-7-12(11)15(16,17)18/h4-7,9-10,13,19H,3,8H2,1-2H3
InChIKeyONTSKNNSVRCYPL-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.53
Rot. Bonds5

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

N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 61316143) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID61316143
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C(F)(F)F)c1nccn1C
InChIInChI=1S/C15H18F3N3/c1-3-8-19-13(14-20-9-10-21(14)2)11-6-4-5-7-12(11)15(16,17)18/h4-7,9-10,13,19H,3,8H2,1-2H3
InChIKeyONTSKNNSVRCYPL-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(3-methoxy-4-pyridinyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 105064351
N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316520
2-methyl-1-(1-methylimidazol-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 63975390
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[(2,5-dibromothiophen-3-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114021743
N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 82800505
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 106855833
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427266
1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148770

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 61316143) is N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is CCCNC(c1ccccc1C(F)(F)F)c1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is ONTSKNNSVRCYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-8-19-13(14-20-9-10-21(14)2)11-6-4-5-7-12(11)15(16,17)18/h4-7,9-10,13,19H,3,8H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61316143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).