1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol

C18H23NO2 — CID 60881782

IUPAC1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol
SMILESCCCNCc1ccccc1OCC(O)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-2-12-19-13-16-10-6-7-11-18(16)21-14-17(20)15-8-4-3-5-9-15/h3-11,17,19-20H,2,12-14H2,1H3
InChIKeySELQWIWLTLYAIW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.30
Rot. Bonds8

About 1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol

1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol (PubChem CID 60881782) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol
PubChem CID60881782
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol
SMILESCCCNCc1ccccc1OCC(O)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-2-12-19-13-16-10-6-7-11-18(16)21-14-17(20)15-8-4-3-5-9-15/h3-11,17,19-20H,2,12-14H2,1H3
InChIKeySELQWIWLTLYAIW-UHFFFAOYSA-N
XLogP3.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(propylaminomethyl)phenoxy]propan-2-ol
CID 60881781
2-(2-ethylphenoxy)-1-phenylethanol
CID 60731173
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
N-[[2-(2-methylpropoxy)phenyl]methyl]butan-1-amine
CID 54797416
N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine
CID 102939424
N-[(2-ethoxyphenyl)methyl]-3-phenylbutan-1-amine
CID 62403359
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 65210710
1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 43220929
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol?
The IUPAC name of 1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol (CID 60881782) is 1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol.
What is the SMILES notation for 1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol?
The canonical SMILES for 1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol is CCCNCc1ccccc1OCC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol?
The InChIKey is SELQWIWLTLYAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-12-19-13-16-10-6-7-11-18(16)21-14-17(20)15-8-4-3-5-9-15/h3-11,17,19-20H,2,12-14H2,1H3.
What are the key properties of 1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol?
1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol has a molecular weight of 285.39 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol is sourced from PubChem (CID 60881782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).