[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine

C17H21NO3 — CID 60880025

IUPAC[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCCOc1cccc(CN)c1OCc1cccc(OC)c1
InChIInChI=1S/C17H21NO3/c1-3-20-16-9-5-7-14(11-18)17(16)21-12-13-6-4-8-15(10-13)19-2/h4-10H,3,11-12,18H2,1-2H3
InChIKeyKRVXMCVZELTGOV-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.13
Rot. Bonds7

About [3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine

[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine (PubChem CID 60880025) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
PubChem CID60880025
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCCOc1cccc(CN)c1OCc1cccc(OC)c1
InChIInChI=1S/C17H21NO3/c1-3-20-16-9-5-7-14(11-18)17(16)21-12-13-6-4-8-15(10-13)19-2/h4-10H,3,11-12,18H2,1-2H3
InChIKeyKRVXMCVZELTGOV-UHFFFAOYSA-N
XLogP3.13
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanol
CID 43366742
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
1-[3-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60889550
[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
1-(bromomethyl)-3-ethoxy-2-[(3-methylphenyl)methoxy]benzene
CID 43174682
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8637363
[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanamine
CID 79775923
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
[3-[(3-methoxyphenyl)methoxy]pyridazin-4-yl]methanamine
CID 80508057
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60879448

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine (CID 60880025) is [3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine is CCOc1cccc(CN)c1OCc1cccc(OC)c1.
What is the InChIKey of [3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine?
The InChIKey is KRVXMCVZELTGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-20-16-9-5-7-14(11-18)17(16)21-12-13-6-4-8-15(10-13)19-2/h4-10H,3,11-12,18H2,1-2H3.
What are the key properties of [3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine?
[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60880025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).