2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride

C18H24ClNO3 — CID 17333168

IUPAC2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride
SMILESCOc1cc(CNCCO)ccc1OCCc1ccccc1.Cl
InChIInChI=1S/C18H23NO3.ClH/c1-21-18-13-16(14-19-10-11-20)7-8-17(18)22-12-9-15-5-3-2-4-6-15;/h2-8,13,19-20H,9-12,14H2,1H3;1H
InChIKeyWZHCJPRMOUTUDN-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.82
Rot. Bonds9

About 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride

2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride (PubChem CID 17333168) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride
PubChem CID17333168
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride
SMILESCOc1cc(CNCCO)ccc1OCCc1ccccc1.Cl
InChIInChI=1S/C18H23NO3.ClH/c1-21-18-13-16(14-19-10-11-20)7-8-17(18)22-12-9-15-5-3-2-4-6-15;/h2-8,13,19-20H,9-12,14H2,1H3;1H
InChIKeyWZHCJPRMOUTUDN-UHFFFAOYSA-N
XLogP2.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.82
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-(4-fluorophenyl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 4724668
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]heptan-1-amine;hydrochloride
CID 17333184
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]acetonitrile
CID 4724686
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17333187
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol
CID 92928810
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804537
2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17333202
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]propanoic acid
CID 66527971
3-imidazol-1-yl-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]propan-1-amine;hydrochloride
CID 17156431
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 4715731

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride (CID 17333168) is 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride is COc1cc(CNCCO)ccc1OCCc1ccccc1.Cl.
What is the InChIKey of 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride?
The InChIKey is WZHCJPRMOUTUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3.ClH/c1-21-18-13-16(14-19-10-11-20)7-8-17(18)22-12-9-15-5-3-2-4-6-15;/h2-8,13,19-20H,9-12,14H2,1H3;1H.
What are the key properties of 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride?
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 17333168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).