N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

C15H18F3N3 — CID 62955935

IUPACN-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCCn1ccnc1CNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3/c1-2-7-21-8-6-20-14(21)11-19-10-12-4-3-5-13(9-12)15(16,17)18/h3-6,8-9,19H,2,7,10-11H2,1H3
InChIKeySBQHHRXAWXNMKE-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.60
Rot. Bonds6

About N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 62955935) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID62955935
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCCn1ccnc1CNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3/c1-2-7-21-8-6-20-14(21)11-19-10-12-4-3-5-13(9-12)15(16,17)18/h3-6,8-9,19H,2,7,10-11H2,1H3
InChIKeySBQHHRXAWXNMKE-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
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 62956494
N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 19618959
1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
N-[(1-propylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895060
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
CID 113327188
2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 46784408
N-[(3-methylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62998807
1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 56905869

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (CID 62955935) is N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is CCCn1ccnc1CNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is SBQHHRXAWXNMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-2-7-21-8-6-20-14(21)11-19-10-12-4-3-5-13(9-12)15(16,17)18/h3-6,8-9,19H,2,7,10-11H2,1H3.
What are the key properties of N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
N-[(1-propylimidazol-2-yl)methyl]-1-[3-(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-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 62955935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).