3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine

C19H29N3O3 — CID 134696888

IUPAC3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESCOCCCN(Cc1ccc(OC)cc1)Cc1cncn1CCOC
InChIInChI=1S/C19H29N3O3/c1-23-11-4-9-21(14-17-5-7-19(25-3)8-6-17)15-18-13-20-16-22(18)10-12-24-2/h5-8,13,16H,4,9-12,14-15H2,1-3H3
InChIKeyCDGDYRVASIWPID-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.58
Rot. Bonds12

About 3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine

3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 134696888) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine
PubChem CID134696888
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESCOCCCN(Cc1ccc(OC)cc1)Cc1cncn1CCOC
InChIInChI=1S/C19H29N3O3/c1-23-11-4-9-21(14-17-5-7-19(25-3)8-6-17)15-18-13-20-16-22(18)10-12-24-2/h5-8,13,16H,4,9-12,14-15H2,1-3H3
InChIKeyCDGDYRVASIWPID-UHFFFAOYSA-N
XLogP2.58
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
N-[(4-methoxyphenyl)methyl]-3-(6-methoxypurin-9-yl)-N-[3-(6-methoxypurin-9-yl)propyl]propan-1-amine
CID 46903486
(2S)-1-[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
CID 93160585
N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine
CID 107365079
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
4-[[5-[[butyl-[(4-phenoxyphenyl)methyl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
CID 19707482
5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)imidazole
CID 155261577
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 91840951
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 164631836
N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 7226372
1-(4-chlorophenoxy)-3-[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]propan-2-ol
CID 46006759

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine (CID 134696888) is 3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine is COCCCN(Cc1ccc(OC)cc1)Cc1cncn1CCOC.
What is the InChIKey of 3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is CDGDYRVASIWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-23-11-4-9-21(14-17-5-7-19(25-3)8-6-17)15-18-13-20-16-22(18)10-12-24-2/h5-8,13,16H,4,9-12,14-15H2,1-3H3.
What are the key properties of 3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine?
3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 347.46 g/mol, XLogP of 2.58, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 134696888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).