2-[(3-phenoxyphenyl)methyl-propylamino]ethanol

C18H23NO2 — CID 783739

IUPAC2-[(3-phenoxyphenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-2-11-19(12-13-20)15-16-7-6-10-18(14-16)21-17-8-4-3-5-9-17/h3-10,14,20H,2,11-13,15H2,1H3
InChIKeyQACFCBHXIAUJAM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.68
Rot. Bonds8

About 2-[(3-phenoxyphenyl)methyl-propylamino]ethanol

2-[(3-phenoxyphenyl)methyl-propylamino]ethanol (PubChem CID 783739) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(3-phenoxyphenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3-phenoxyphenyl)methyl-propylamino]ethanol
PubChem CID783739
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[(3-phenoxyphenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-2-11-19(12-13-20)15-16-7-6-10-18(14-16)21-17-8-4-3-5-9-17/h3-10,14,20H,2,11-13,15H2,1H3
InChIKeyQACFCBHXIAUJAM-UHFFFAOYSA-N
XLogP3.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenoxyphenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(3-phenoxyphenyl)methyl-propylamino]ethanol (CID 783739) is 2-[(3-phenoxyphenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(3-phenoxyphenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(3-phenoxyphenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[(3-phenoxyphenyl)methyl-propylamino]ethanol?
The InChIKey is QACFCBHXIAUJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-11-19(12-13-20)15-16-7-6-10-18(14-16)21-17-8-4-3-5-9-17/h3-10,14,20H,2,11-13,15H2,1H3.
What are the key properties of 2-[(3-phenoxyphenyl)methyl-propylamino]ethanol?
2-[(3-phenoxyphenyl)methyl-propylamino]ethanol has a molecular weight of 285.39 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxyphenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 783739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).