2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride

C17H22ClNO3 — CID 2959356

IUPAC2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
SMILESCOc1cccc(CNCCO)c1OCc1ccccc1.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-20-16-9-5-8-15(12-18-10-11-19)17(16)21-13-14-6-3-2-4-7-14;/h2-9,18-19H,10-13H2,1H3;1H
InChIKeyOGLZMSMBCCASHE-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.78
Rot. Bonds8

About 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride

2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride (PubChem CID 2959356) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
PubChem CID2959356
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
SMILESCOc1cccc(CNCCO)c1OCc1ccccc1.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-20-16-9-5-8-15(12-18-10-11-19)17(16)21-13-14-6-3-2-4-7-14;/h2-9,18-19H,10-13H2,1H3;1H
InChIKeyOGLZMSMBCCASHE-UHFFFAOYSA-N
XLogP2.78
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol
CID 92928362
2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 4724426
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2951461
N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214307
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6459446
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074149
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
CID 4716006

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride (CID 2959356) is 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride is COc1cccc(CNCCO)c1OCc1ccccc1.Cl.
What is the InChIKey of 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride?
The InChIKey is OGLZMSMBCCASHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3.ClH/c1-20-16-9-5-8-15(12-18-10-11-19)17(16)21-13-14-6-3-2-4-7-14;/h2-9,18-19H,10-13H2,1H3;1H.
What are the key properties of 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride?
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride is sourced from PubChem (CID 2959356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).