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

C15H21N3O — CID 62997731

IUPAC1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCC(NCc1cncn1C)c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-4-15(12-5-7-14(19-3)8-6-12)17-10-13-9-16-11-18(13)2/h5-9,11,15,17H,4,10H2,1-3H3
InChIKeyDKSMTCCQFQPCFV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.67
Rot. Bonds6

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

1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 62997731) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
PubChem CID62997731
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCC(NCc1cncn1C)c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-4-15(12-5-7-14(19-3)8-6-12)17-10-13-9-16-11-18(13)2/h5-9,11,15,17H,4,10H2,1-3H3
InChIKeyDKSMTCCQFQPCFV-UHFFFAOYSA-N
XLogP2.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 62998625
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 63000910
N-[(3-methylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 62999017
N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 63002109
1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 60776811
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103787067
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62748534
1-(4-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206327
1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66132292
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400
2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 62998061

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine (CID 62997731) is 1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine is CCC(NCc1cncn1C)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is DKSMTCCQFQPCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-15(12-5-7-14(19-3)8-6-12)17-10-13-9-16-11-18(13)2/h5-9,11,15,17H,4,10H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62997731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).