3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol

C18H23NO2 — CID 166198762

IUPAC3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
SMILESCOc1ccccc1-c1ccc(C(C)NCCCO)cc1
InChIInChI=1S/C18H23NO2/c1-14(19-12-5-13-20)15-8-10-16(11-9-15)17-6-3-4-7-18(17)21-2/h3-4,6-11,14,19-20H,5,12-13H2,1-2H3
InChIKeyVIGUEAJENKJLFR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.40
Rot. Bonds7

About 3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol

3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol (PubChem CID 166198762) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
PubChem CID166198762
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
SMILESCOc1ccccc1-c1ccc(C(C)NCCCO)cc1
InChIInChI=1S/C18H23NO2/c1-14(19-12-5-13-20)15-8-10-16(11-9-15)17-6-3-4-7-18(17)21-2/h3-4,6-11,14,19-20H,5,12-13H2,1-2H3
InChIKeyVIGUEAJENKJLFR-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.40
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

6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol
CID 166197123
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine
CID 166385022
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine
CID 166384960
3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine
CID 166242699
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine
CID 166237258
N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine
CID 166385004
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
CID 28714593
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol?
The IUPAC name of 3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol (CID 166198762) is 3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol.
What is the SMILES notation for 3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol?
The canonical SMILES for 3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol is COc1ccccc1-c1ccc(C(C)NCCCO)cc1.
What is the InChIKey of 3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol?
The InChIKey is VIGUEAJENKJLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(19-12-5-13-20)15-8-10-16(11-9-15)17-6-3-4-7-18(17)21-2/h3-4,6-11,14,19-20H,5,12-13H2,1-2H3.
What are the key properties of 3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol?
3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol is sourced from PubChem (CID 166198762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).