2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol

C15H17NO3 — CID 107708398

IUPAC2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol
SMILESCOc1ccc(Oc2ccc(CCO)cc2)c(N)c1
InChIInChI=1S/C15H17NO3/c1-18-13-6-7-15(14(16)10-13)19-12-4-2-11(3-5-12)8-9-17/h2-7,10,17H,8-9,16H2,1H3
InChIKeyDQNWJXDOVLQUGD-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.60
Rot. Bonds5

About 2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol

2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol (PubChem CID 107708398) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol
PubChem CID107708398
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol
SMILESCOc1ccc(Oc2ccc(CCO)cc2)c(N)c1
InChIInChI=1S/C15H17NO3/c1-18-13-6-7-15(14(16)10-13)19-12-4-2-11(3-5-12)8-9-17/h2-7,10,17H,8-9,16H2,1H3
InChIKeyDQNWJXDOVLQUGD-UHFFFAOYSA-N
XLogP2.60
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol 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

4-(2-amino-4-methoxyphenoxy)phenol
CID 22117697
[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
CID 107742492
2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol
CID 107708403
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
1-[4-(2-amino-4-methoxyphenoxy)-3,5-diiodophenyl]ethanone
CID 25064589
1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol
CID 159394766
5-methoxy-2-(3-phenylmethoxyphenoxy)aniline
CID 166611417
2-[4-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]ethanol
CID 107709115
2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol
CID 107708359
2-[4-(3-methoxyphenyl)phenyl]ethanol
CID 2759703
2-[(4-iodophenyl)methoxy]-5-methoxyaniline
CID 65498773

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol (CID 107708398) is 2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol is COc1ccc(Oc2ccc(CCO)cc2)c(N)c1.
What is the InChIKey of 2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol?
The InChIKey is DQNWJXDOVLQUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-13-6-7-15(14(16)10-13)19-12-4-2-11(3-5-12)8-9-17/h2-7,10,17H,8-9,16H2,1H3.
What are the key properties of 2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol?
2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol has a molecular weight of 259.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol is sourced from PubChem (CID 107708398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).