1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine

C19H21N3O — CID 47008187

IUPAC1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H21N3O/c1-15(21-13-17-5-3-4-6-19(17)23-2)16-7-9-18(10-8-16)22-12-11-20-14-22/h3-12,14-15,21H,13H2,1-2H3
InChIKeyDWVQHVLTVGYLAX-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.73
Rot. Bonds6

About 1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine

1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (PubChem CID 47008187) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
PubChem CID47008187
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H21N3O/c1-15(21-13-17-5-3-4-6-19(17)23-2)16-7-9-18(10-8-16)22-12-11-20-14-22/h3-12,14-15,21H,13H2,1-2H3
InChIKeyDWVQHVLTVGYLAX-UHFFFAOYSA-N
XLogP3.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-chlorophenyl)-N-[3-(1H-imidazol-1-ylmethyl)-4-methoxybenzyl]amine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (CID 47008187) is 1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine is COc1ccccc1CNC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is DWVQHVLTVGYLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-15(21-13-17-5-3-4-6-19(17)23-2)16-7-9-18(10-8-16)22-12-11-20-14-22/h3-12,14-15,21H,13H2,1-2H3.
What are the key properties of 1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 307.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 47008187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).