2-[3-phenylpropyl(propyl)amino]ethanol

C14H23NO — CID 756834

IUPAC2-[3-phenylpropyl(propyl)amino]ethanol
SMILESCCCN(CCO)CCCc1ccccc1
InChIInChI=1S/C14H23NO/c1-2-10-15(12-13-16)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,16H,2,6,9-13H2,1H3
InChIKeyFHUXGNUBTYQJSX-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.32
Rot. Bonds8

About 2-[3-phenylpropyl(propyl)amino]ethanol

2-[3-phenylpropyl(propyl)amino]ethanol (PubChem CID 756834) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[3-phenylpropyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-phenylpropyl(propyl)amino]ethanol
PubChem CID756834
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[3-phenylpropyl(propyl)amino]ethanol
SMILESCCCN(CCO)CCCc1ccccc1
InChIInChI=1S/C14H23NO/c1-2-10-15(12-13-16)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,16H,2,6,9-13H2,1H3
InChIKeyFHUXGNUBTYQJSX-UHFFFAOYSA-N
XLogP2.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-phenylpropyl(propyl)amino]ethanol?
The IUPAC name of 2-[3-phenylpropyl(propyl)amino]ethanol (CID 756834) is 2-[3-phenylpropyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[3-phenylpropyl(propyl)amino]ethanol?
The canonical SMILES for 2-[3-phenylpropyl(propyl)amino]ethanol is CCCN(CCO)CCCc1ccccc1.
What is the InChIKey of 2-[3-phenylpropyl(propyl)amino]ethanol?
The InChIKey is FHUXGNUBTYQJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-10-15(12-13-16)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,16H,2,6,9-13H2,1H3.
What are the key properties of 2-[3-phenylpropyl(propyl)amino]ethanol?
2-[3-phenylpropyl(propyl)amino]ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenylpropyl(propyl)amino]ethanol is sourced from PubChem (CID 756834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).