1-[3-(4-methoxyphenoxy)phenyl]ethanamine

C15H17NO2 — CID 79016052

IUPAC1-[3-(4-methoxyphenoxy)phenyl]ethanamine
SMILESCOc1ccc(Oc2cccc(C(C)N)c2)cc1
InChIInChI=1S/C15H17NO2/c1-11(16)12-4-3-5-15(10-12)18-14-8-6-13(17-2)7-9-14/h3-11H,16H2,1-2H3
InChIKeyBHNCNZFOWWCQBL-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.51
Rot. Bonds4

About 1-[3-(4-methoxyphenoxy)phenyl]ethanamine

1-[3-(4-methoxyphenoxy)phenyl]ethanamine (PubChem CID 79016052) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-methoxyphenoxy)phenyl]ethanamine
PubChem CID79016052
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[3-(4-methoxyphenoxy)phenyl]ethanamine
SMILESCOc1ccc(Oc2cccc(C(C)N)c2)cc1
InChIInChI=1S/C15H17NO2/c1-11(16)12-4-3-5-15(10-12)18-14-8-6-13(17-2)7-9-14/h3-11H,16H2,1-2H3
InChIKeyBHNCNZFOWWCQBL-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-methoxyphenoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
2-[3-(4-methoxyphenoxy)phenyl]propanenitrile
CID 165348028
2-[4-[3-(1-aminoethyl)phenoxy]phenyl]acetonitrile
CID 79170371
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 78938156
1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 82716269

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-(4-methoxyphenoxy)phenyl]ethanamine (CID 79016052) is 1-[3-(4-methoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(4-methoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-(4-methoxyphenoxy)phenyl]ethanamine is COc1ccc(Oc2cccc(C(C)N)c2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenoxy)phenyl]ethanamine?
The InChIKey is BHNCNZFOWWCQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(16)12-4-3-5-15(10-12)18-14-8-6-13(17-2)7-9-14/h3-11H,16H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenoxy)phenyl]ethanamine?
1-[3-(4-methoxyphenoxy)phenyl]ethanamine has a molecular weight of 243.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 79016052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).