1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine

C14H19N3O — CID 63001902

IUPAC1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2cncn2C)c1
InChIInChI=1S/C14H19N3O/c1-3-18-14-6-4-5-12(7-14)8-15-9-13-10-16-11-17(13)2/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyFDWNEXRZRCUHFU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds6

About 1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine

1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine (PubChem CID 63001902) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
PubChem CID63001902
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2cncn2C)c1
InChIInChI=1S/C14H19N3O/c1-3-18-14-6-4-5-12(7-14)8-15-9-13-10-16-11-17(13)2/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyFDWNEXRZRCUHFU-UHFFFAOYSA-N
XLogP2.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 119123236
1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 62132043
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-[(3-methylimidazol-4-yl)methyl]-2-(3-methylphenoxy)ethanamine
CID 63001060
1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408093
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3-ethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155517
1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096722
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60872169

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine (CID 63001902) is 1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine is CCOc1cccc(CNCc2cncn2C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The InChIKey is FDWNEXRZRCUHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-14-6-4-5-12(7-14)8-15-9-13-10-16-11-17(13)2/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 63001902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).