1-anilino-3-(2-methoxyphenoxy)propan-2-ol

C16H19NO3 — CID 11265772

IUPAC1-anilino-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNc1ccccc1
InChIInChI=1S/C16H19NO3/c1-19-15-9-5-6-10-16(15)20-12-14(18)11-17-13-7-3-2-4-8-13/h2-10,14,17-18H,11-12H2,1H3
InChIKeyXHNZJCUGQPPYQT-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.55
Rot. Bonds7

About 1-anilino-3-(2-methoxyphenoxy)propan-2-ol

1-anilino-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 11265772) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-anilino-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-anilino-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID11265772
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-anilino-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNc1ccccc1
InChIInChI=1S/C16H19NO3/c1-19-15-9-5-6-10-16(15)20-12-14(18)11-17-13-7-3-2-4-8-13/h2-10,14,17-18H,11-12H2,1H3
InChIKeyXHNZJCUGQPPYQT-UHFFFAOYSA-N
XLogP2.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-anilino-3-(2-methoxyphenoxy)propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-anilino-3-(2-methoxyphenoxy)propan-2-ol (CID 11265772) is 1-anilino-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-anilino-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-anilino-3-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OCC(O)CNc1ccccc1.
What is the InChIKey of 1-anilino-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is XHNZJCUGQPPYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-15-9-5-6-10-16(15)20-12-14(18)11-17-13-7-3-2-4-8-13/h2-10,14,17-18H,11-12H2,1H3.
What are the key properties of 1-anilino-3-(2-methoxyphenoxy)propan-2-ol?
1-anilino-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 273.33 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 11265772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).