1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine

C22H27N3O2 — CID 86843120

IUPAC1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine
SMILESCCCOc1ccc(CNCc2ccccc2-n2ccnc2)cc1OCC
InChIInChI=1S/C22H27N3O2/c1-3-13-27-21-10-9-18(14-22(21)26-4-2)15-24-16-19-7-5-6-8-20(19)25-12-11-23-17-25/h5-12,14,17,24H,3-4,13,15-16H2,1-2H3
InChIKeyDMAICIWMBPIQHJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.35
Rot. Bonds10

About 1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine

1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine (PubChem CID 86843120) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine
PubChem CID86843120
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine
SMILESCCCOc1ccc(CNCc2ccccc2-n2ccnc2)cc1OCC
InChIInChI=1S/C22H27N3O2/c1-3-13-27-21-10-9-18(14-22(21)26-4-2)15-24-16-19-7-5-6-8-20(19)25-12-11-23-17-25/h5-12,14,17,24H,3-4,13,15-16H2,1-2H3
InChIKeyDMAICIWMBPIQHJ-UHFFFAOYSA-N
XLogP4.35
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]butanenitrile
CID 49248870
N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 47629508
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 47629504
1-[(2-ethoxyphenyl)methyl]-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111880778
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine
CID 131919120
N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 6473316
4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]benzoic acid
CID 29227556
3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 47799517
1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29225975

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine (CID 86843120) is 1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine is CCCOc1ccc(CNCc2ccccc2-n2ccnc2)cc1OCC.
What is the InChIKey of 1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine?
The InChIKey is DMAICIWMBPIQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-13-27-21-10-9-18(14-22(21)26-4-2)15-24-16-19-7-5-6-8-20(19)25-12-11-23-17-25/h5-12,14,17,24H,3-4,13,15-16H2,1-2H3.
What are the key properties of 1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine?
1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine has a molecular weight of 365.48 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine is sourced from PubChem (CID 86843120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).