1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine

C15H21N3O — CID 61214144

IUPAC1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
SMILESCOc1cccc(C(C)NCCc2nccn2C)c1
InChIInChI=1S/C15H21N3O/c1-12(13-5-4-6-14(11-13)19-3)16-8-7-15-17-9-10-18(15)2/h4-6,9-12,16H,7-8H2,1-3H3
InChIKeyYBRNRWNUOHXMAK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.32
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine

1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine (PubChem CID 61214144) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
PubChem CID61214144
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
SMILESCOc1cccc(C(C)NCCc2nccn2C)c1
InChIInChI=1S/C15H21N3O/c1-12(13-5-4-6-14(11-13)19-3)16-8-7-15-17-9-10-18(15)2/h4-6,9-12,16H,7-8H2,1-3H3
InChIKeyYBRNRWNUOHXMAK-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63328676
1-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)ethylamino]ethanol
CID 81133901
N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62357438
(1R)-1-(3-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81373333
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol
CID 61214125
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001791
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363525

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine (CID 61214144) is 1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine is COc1cccc(C(C)NCCc2nccn2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The InChIKey is YBRNRWNUOHXMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(13-5-4-6-14(11-13)19-3)16-8-7-15-17-9-10-18(15)2/h4-6,9-12,16H,7-8H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 61214144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).