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

C15H18F3N3 — CID 82887724

IUPACN-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(F)(F)F)cc1)c1cncn1C
InChIInChI=1S/C15H18F3N3/c1-3-8-20-14(13-9-19-10-21(13)2)11-4-6-12(7-5-11)15(16,17)18/h4-7,9-10,14,20H,3,8H2,1-2H3
InChIKeySVOIBOPLDUEVQB-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.53
Rot. Bonds5

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

N-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 82887724) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID82887724
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(F)(F)F)cc1)c1cncn1C
InChIInChI=1S/C15H18F3N3/c1-3-8-20-14(13-9-19-10-21(13)2)11-4-6-12(7-5-11)15(16,17)18/h4-7,9-10,14,20H,3,8H2,1-2H3
InChIKeySVOIBOPLDUEVQB-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-[(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 82902794
N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 82902048
N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine
CID 82887052
N-[(2-chloro-5-fluorophenyl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 105395429
N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 104542825
N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63987510
N-[(4-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61330841
N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 107560646
N-[(3-bromo-2,6-difluorophenyl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 106942976
N-[2,2-difluoro-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 80605539
N-[1H-1,2,4-triazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65360853
N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 63000281

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 82887724) is N-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is CCCNC(c1ccc(C(F)(F)F)cc1)c1cncn1C.
What is the InChIKey of N-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is SVOIBOPLDUEVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-8-20-14(13-9-19-10-21(13)2)11-4-6-12(7-5-11)15(16,17)18/h4-7,9-10,14,20H,3,8H2,1-2H3.
What are the key properties of N-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-[(3-methylimidazol-4-yl)-[4-(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-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 82887724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).