1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine

C14H19N3O — CID 115580367

IUPAC1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCOc1cc(C(N)Cc2nccn2C)ccc1C
InChIInChI=1S/C14H19N3O/c1-10-4-5-11(8-13(10)18-3)12(15)9-14-16-6-7-17(14)2/h4-8,12H,9,15H2,1-3H3
InChIKeyNQEBHVWNRYHOJU-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.98
Rot. Bonds4

About 1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine

1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 115580367) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID115580367
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCOc1cc(C(N)Cc2nccn2C)ccc1C
InChIInChI=1S/C14H19N3O/c1-10-4-5-11(8-13(10)18-3)12(15)9-14-16-6-7-17(14)2/h4-8,12H,9,15H2,1-3H3
InChIKeyNQEBHVWNRYHOJU-UHFFFAOYSA-N
XLogP1.98
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012377
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196
2-(1-methylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755605
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 107994332
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580384
1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529940
1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011669
1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580385
1-(3-methoxy-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316123
2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105011417
1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049774
1-(4-methoxy-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529108

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine (CID 115580367) is 1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine is COc1cc(C(N)Cc2nccn2C)ccc1C.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is NQEBHVWNRYHOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-4-5-11(8-13(10)18-3)12(15)9-14-16-6-7-17(14)2/h4-8,12H,9,15H2,1-3H3.
What are the key properties of 1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 115580367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).