2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine

C14H19N3O — CID 62741768

IUPAC2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cnc(C)[nH]2)cc1
InChIInChI=1S/C14H19N3O/c1-11-16-10-13(17-11)9-15-8-7-12-3-5-14(18-2)6-4-12/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyAUBQWKMSXRBBCD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.06
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine

2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine (PubChem CID 62741768) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
PubChem CID62741768
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cnc(C)[nH]2)cc1
InChIInChI=1S/C14H19N3O/c1-11-16-10-13(17-11)9-15-8-7-12-3-5-14(18-2)6-4-12/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyAUBQWKMSXRBBCD-UHFFFAOYSA-N
XLogP2.06
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310
1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63001836
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
2-(4-methoxyphenyl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110666491
2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758750
2-(4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 132891753
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 43826046
2-(4-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682028
[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol
CID 107230249
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 115606779

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine (CID 62741768) is 2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine is COc1ccc(CCNCc2cnc(C)[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The InChIKey is AUBQWKMSXRBBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-16-10-13(17-11)9-15-8-7-12-3-5-14(18-2)6-4-12/h3-6,10,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 62741768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).