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

C18H23NO2 — CID 60776460

IUPAC1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
SMILESCCOc1ccc(CNCc2cccc(OCC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-3-20-17-10-8-15(9-11-17)13-19-14-16-6-5-7-18(12-16)21-4-2/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyHWZLXCPXZJHURC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.77
Rot. Bonds8

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

1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine (PubChem CID 60776460) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
PubChem CID60776460
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
SMILESCCOc1ccc(CNCc2cccc(OCC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-3-20-17-10-8-15(9-11-17)13-19-14-16-6-5-7-18(12-16)21-4-2/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyHWZLXCPXZJHURC-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
CID 103648633
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 66474852
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 60615873
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408093
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-ethoxyphenyl)methanamine
CID 18437826
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine (CID 60776460) is 1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine is CCOc1ccc(CNCc2cccc(OCC)c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine?
The InChIKey is HWZLXCPXZJHURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-20-17-10-8-15(9-11-17)13-19-14-16-6-5-7-18(12-16)21-4-2/h5-12,19H,3-4,13-14H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine?
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 60776460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).