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

C17H21ClFNO3 — CID 2951461

IUPAC2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
SMILESCOc1cccc(CNCCO)c1OCc1ccccc1F.Cl
InChIInChI=1S/C17H20FNO3.ClH/c1-21-16-8-4-6-13(11-19-9-10-20)17(16)22-12-14-5-2-3-7-15(14)18;/h2-8,19-20H,9-12H2,1H3;1H
InChIKeyPXOFNRXUCXRPJZ-UHFFFAOYSA-N
MW341.81 g/mol
LogP2.92
Rot. Bonds8

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

2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride (PubChem CID 2951461) has the molecular formula C17H21ClFNO3 and a molecular weight of 341.81 g/mol. Its IUPAC name is 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
PubChem CID2951461
Molecular FormulaC17H21ClFNO3
Molecular Weight341.81 g/mol
Exact Mass341.12
IUPAC Name2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
SMILESCOc1cccc(CNCCO)c1OCc1ccccc1F.Cl
InChIInChI=1S/C17H20FNO3.ClH/c1-21-16-8-4-6-13(11-19-9-10-20)17(16)22-12-14-5-2-3-7-15(14)18;/h2-8,19-20H,9-12H2,1H3;1H
InChIKeyPXOFNRXUCXRPJZ-UHFFFAOYSA-N
XLogP2.92
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.92
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

1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208035
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331211
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291289
N',N'-diethyl-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethane-1,2-diamine
CID 4720389
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291700
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 6464080
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526346
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214062

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride (CID 2951461) is 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride is COc1cccc(CNCCO)c1OCc1ccccc1F.Cl.
What is the InChIKey of 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride?
The InChIKey is PXOFNRXUCXRPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3.ClH/c1-21-16-8-4-6-13(11-19-9-10-20)17(16)22-12-14-5-2-3-7-15(14)18;/h2-8,19-20H,9-12H2,1H3;1H.
What are the key properties of 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride?
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride has a molecular weight of 341.81 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 2951461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).