1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine

C16H19NO2 — CID 60879205

IUPAC1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(COc2cccc(C(C)N)c2)cc1
InChIInChI=1S/C16H19NO2/c1-12(17)14-4-3-5-16(10-14)19-11-13-6-8-15(18-2)9-7-13/h3-10,12H,11,17H2,1-2H3
InChIKeyCTKWKJJDYLAWMQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.29
Rot. Bonds5

About 1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine

1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine (PubChem CID 60879205) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
PubChem CID60879205
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(COc2cccc(C(C)N)c2)cc1
InChIInChI=1S/C16H19NO2/c1-12(17)14-4-3-5-16(10-14)19-11-13-6-8-15(18-2)9-7-13/h3-10,12H,11,17H2,1-2H3
InChIKeyCTKWKJJDYLAWMQ-UHFFFAOYSA-N
XLogP3.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 78930712
(1S)-1-[3-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 63368413
1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
CID 82918244
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 62911731
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 60870530

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine (CID 60879205) is 1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine is COc1ccc(COc2cccc(C(C)N)c2)cc1.
What is the InChIKey of 1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine?
The InChIKey is CTKWKJJDYLAWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(17)14-4-3-5-16(10-14)19-11-13-6-8-15(18-2)9-7-13/h3-10,12H,11,17H2,1-2H3.
What are the key properties of 1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine?
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine has a molecular weight of 257.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 60879205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).