2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride

C10H16ClNO2 — CID 71757143

IUPAC2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
SMILESCOc1cccc(COCCN)c1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-12-10-4-2-3-9(7-10)8-13-6-5-11;/h2-4,7H,5-6,8,11H2,1H3;1H
InChIKeyGXSPGIHKXHEHGN-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.59
Rot. Bonds5

About 2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride

2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride (PubChem CID 71757143) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
PubChem CID71757143
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
SMILESCOc1cccc(COCCN)c1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-12-10-4-2-3-9(7-10)8-13-6-5-11;/h2-4,7H,5-6,8,11H2,1H3;1H
InChIKeyGXSPGIHKXHEHGN-UHFFFAOYSA-N
XLogP1.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride 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-(9-bromononoxymethyl)-3-methoxybenzene
CID 105343271
2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline
CID 43366089
1-(2-aminoethoxy)-3-(3-methoxyphenyl)propan-2-one
CID 116590894
N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide
CID 24695934
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N-methylpropan-2-amine
CID 58202110
2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine
CID 168975952
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine
CID 70124527
3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine
CID 64571644
N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 109374643
6-[(3-methoxyphenyl)methoxy]hexan-3-one
CID 106801987

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride (CID 71757143) is 2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride is COc1cccc(COCCN)c1.Cl.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride?
The InChIKey is GXSPGIHKXHEHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-12-10-4-2-3-9(7-10)8-13-6-5-11;/h2-4,7H,5-6,8,11H2,1H3;1H.
What are the key properties of 2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride?
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride is sourced from PubChem (CID 71757143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).