1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine

C16H23N3O — CID 66243851

IUPAC1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C16H23N3O/c1-4-10-19-11-9-17-16(19)12-18-13(2)14-5-7-15(20-3)8-6-14/h5-9,11,13,18H,4,10,12H2,1-3H3
InChIKeyRMCBECZOYUVFJG-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine

1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 66243851) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID66243851
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C16H23N3O/c1-4-10-19-11-9-17-16(19)12-18-13(2)14-5-7-15(20-3)8-6-14/h5-9,11,13,18H,4,10,12H2,1-3H3
InChIKeyRMCBECZOYUVFJG-UHFFFAOYSA-N
XLogP3.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 55152900
1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555894
(1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine
CID 97308675
1-(2,5-dimethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956848
(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 95359172
N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 62956864
(1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81371019
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956669
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 94410101

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine (CID 66243851) is 1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1CNC(C)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is RMCBECZOYUVFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-10-19-11-9-17-16(19)12-18-13(2)14-5-7-15(20-3)8-6-14/h5-9,11,13,18H,4,10,12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 66243851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).