[4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride

C15H18ClNO3 — CID 110209404

IUPAC[4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride
SMILESCOc1cc(OC)cc(Oc2ccc(CN)cc2)c1.Cl
InChIInChI=1S/C15H17NO3.ClH/c1-17-13-7-14(18-2)9-15(8-13)19-12-5-3-11(10-16)4-6-12;/h3-9H,10,16H2,1-2H3;1H
InChIKeyOCUYQNDJGDHCAB-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.38
Rot. Bonds5

About [4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride

[4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride (PubChem CID 110209404) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is [4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride
PubChem CID110209404
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name[4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride
SMILESCOc1cc(OC)cc(Oc2ccc(CN)cc2)c1.Cl
InChIInChI=1S/C15H17NO3.ClH/c1-17-13-7-14(18-2)9-15(8-13)19-12-5-3-11(10-16)4-6-12;/h3-9H,10,16H2,1-2H3;1H
InChIKeyOCUYQNDJGDHCAB-UHFFFAOYSA-N
XLogP3.38
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride 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 [4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride (CID 110209404) is [4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride is COc1cc(OC)cc(Oc2ccc(CN)cc2)c1.Cl.
What is the InChIKey of [4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride?
The InChIKey is OCUYQNDJGDHCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3.ClH/c1-17-13-7-14(18-2)9-15(8-13)19-12-5-3-11(10-16)4-6-12;/h3-9H,10,16H2,1-2H3;1H.
What are the key properties of [4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride?
[4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxyphenoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 110209404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).