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

C18H23NO2 — CID 107712993

IUPAC2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol
SMILESCCCNCc1ccccc1Oc1ccccc1CCO
InChIInChI=1S/C18H23NO2/c1-2-12-19-14-16-8-4-6-10-18(16)21-17-9-5-3-7-15(17)11-13-20/h3-10,19-20H,2,11-14H2,1H3
InChIKeyKUDCWGFWQGOJFT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds8

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

2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol (PubChem CID 107712993) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol
PubChem CID107712993
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol
SMILESCCCNCc1ccccc1Oc1ccccc1CCO
InChIInChI=1S/C18H23NO2/c1-2-12-19-14-16-8-4-6-10-18(16)21-17-9-5-3-7-15(17)11-13-20/h3-10,19-20H,2,11-14H2,1H3
InChIKeyKUDCWGFWQGOJFT-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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

2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
CID 107712955
N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282629
N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107285188
N-[[2-(2,5-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43282683
N-[[2-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283282
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 43283414
N-[(2-trimethylsilyloxyphenyl)methyl]propan-1-amine
CID 167723210
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283630
1-[2-(propylaminomethyl)phenoxy]propan-2-ol
CID 60881781
N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283339
N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 43283843

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol (CID 107712993) is 2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol is CCCNCc1ccccc1Oc1ccccc1CCO.
What is the InChIKey of 2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol?
The InChIKey is KUDCWGFWQGOJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-12-19-14-16-8-4-6-10-18(16)21-17-9-5-3-7-15(17)11-13-20/h3-10,19-20H,2,11-14H2,1H3.
What are the key properties of 2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol?
2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol has a molecular weight of 285.39 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol is sourced from PubChem (CID 107712993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).