N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

C15H18F3N3 — CID 66129988

IUPACN-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCCCn1cncc1CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3N3/c1-2-7-21-11-20-10-14(21)9-19-8-12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11,19H,2,7-9H2,1H3
InChIKeyAUUAGYGWUHIVGL-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.60
Rot. Bonds6

About N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 66129988) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID66129988
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCCCn1cncc1CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3N3/c1-2-7-21-11-20-10-14(21)9-19-8-12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11,19H,2,7-9H2,1H3
InChIKeyAUUAGYGWUHIVGL-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-propylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 66133126
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
CID 66134574
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
CID 66116948
N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 115682218
1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712244
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66134874
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106009505
N-[(2-chloro-3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 126819952
N-[(3-methylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62998807

Frequently Asked Questions

What is the IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 66129988) is N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is CCCn1cncc1CNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is AUUAGYGWUHIVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-2-7-21-11-20-10-14(21)9-19-8-12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11,19H,2,7-9H2,1H3.
What are the key properties of N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 297.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 66129988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).