2-(3-phenylpropylamino)ethanol

C11H17NO — CID 19012091

IUPAC2-(3-phenylpropylamino)ethanol
SMILESOCCNCCCc1ccccc1
InChIInChI=1S/C11H17NO/c13-10-9-12-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2
InChIKeyQKUUODQZIHMURU-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.20
Rot. Bonds6

About 2-(3-phenylpropylamino)ethanol

2-(3-phenylpropylamino)ethanol (PubChem CID 19012091) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(3-phenylpropylamino)ethanol.

Molecular Properties

Compound Name2-(3-phenylpropylamino)ethanol
PubChem CID19012091
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(3-phenylpropylamino)ethanol
SMILESOCCNCCCc1ccccc1
InChIInChI=1S/C11H17NO/c13-10-9-12-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2
InChIKeyQKUUODQZIHMURU-UHFFFAOYSA-N
XLogP1.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(2-phenylethylamino)hexylamino]ethanol
CID 22104030
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
N-(2-bromoethyl)-3-phenylpropan-1-amine
CID 68743153
4-bromo-N-(3-phenylpropyl)butan-1-amine
CID 106844820
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N-(2-chloroethyl)-3-phenylpropan-1-amine;hydrochloride
CID 141396605
2-methyl-5-(3-phenylpropylamino)pentan-1-ol
CID 114151635
N-(chloromethyl)-3-phenylpropan-1-amine
CID 141240015
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylamino)ethanol?
The IUPAC name of 2-(3-phenylpropylamino)ethanol (CID 19012091) is 2-(3-phenylpropylamino)ethanol.
What is the SMILES notation for 2-(3-phenylpropylamino)ethanol?
The canonical SMILES for 2-(3-phenylpropylamino)ethanol is OCCNCCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropylamino)ethanol?
The InChIKey is QKUUODQZIHMURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-10-9-12-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2.
What are the key properties of 2-(3-phenylpropylamino)ethanol?
2-(3-phenylpropylamino)ethanol has a molecular weight of 179.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylamino)ethanol is sourced from PubChem (CID 19012091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).