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

C15H21N3 — CID 62998625

IUPACN-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NCc1cncn1C)c1ccc(C)cc1
InChIInChI=1S/C15H21N3/c1-4-15(13-7-5-12(2)6-8-13)17-10-14-9-16-11-18(14)3/h5-9,11,15,17H,4,10H2,1-3H3
InChIKeySQUFNQIXFBDQOF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.97
Rot. Bonds5

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

N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine (PubChem CID 62998625) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine
PubChem CID62998625
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NCc1cncn1C)c1ccc(C)cc1
InChIInChI=1S/C15H21N3/c1-4-15(13-7-5-12(2)6-8-13)17-10-14-9-16-11-18(14)3/h5-9,11,15,17H,4,10H2,1-3H3
InChIKeySQUFNQIXFBDQOF-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 63000910
1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 62997731
N-[(3-methylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 62999017
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43714916
1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66132292
2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 62998061
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400
1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103786257
1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997912
1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130561
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
4-butan-2-yl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117869

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine (CID 62998625) is N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine is CCC(NCc1cncn1C)c1ccc(C)cc1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine?
The InChIKey is SQUFNQIXFBDQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-15(13-7-5-12(2)6-8-13)17-10-14-9-16-11-18(14)3/h5-9,11,15,17H,4,10H2,1-3H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine?
N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.97, 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)methyl]-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 62998625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).