1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine

C16H23N3O — CID 61210525

IUPAC1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1nccn1C)c1ccccc1OC
InChIInChI=1S/C16H23N3O/c1-4-14(13-7-5-6-8-15(13)20-3)17-10-9-16-18-11-12-19(16)2/h5-8,11-12,14,17H,4,9-10H2,1-3H3
InChIKeyYNDCIZYXMDSVGT-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.71
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine

1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 61210525) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID61210525
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1nccn1C)c1ccccc1OC
InChIInChI=1S/C16H23N3O/c1-4-14(13-7-5-6-8-15(13)20-3)17-10-9-16-18-11-12-19(16)2/h5-8,11-12,14,17H,4,9-10H2,1-3H3
InChIKeyYNDCIZYXMDSVGT-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
1-(2-ethoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61215157
N-(2-imidazol-1-ylethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 61325312
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79751737
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-2-amine
CID 61213705
[1-(2-ethoxyphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105260833
N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530024
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 103901588
1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214144

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine (CID 61210525) is 1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine is CCC(NCCc1nccn1C)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is YNDCIZYXMDSVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-14(13-7-5-6-8-15(13)20-3)17-10-9-16-18-11-12-19(16)2/h5-8,11-12,14,17H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 61210525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).