4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol

C12H19NO2 — CID 63183327

IUPAC4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
SMILESOCCCCNC(CO)c1ccccc1
InChIInChI=1S/C12H19NO2/c14-9-5-4-8-13-12(10-15)11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2
InChIKeyWJNLDVIACBTDGE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.08
Rot. Bonds7

About 4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol

4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol (PubChem CID 63183327) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
PubChem CID63183327
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
SMILESOCCCCNC(CO)c1ccccc1
InChIInChI=1S/C12H19NO2/c14-9-5-4-8-13-12(10-15)11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2
InChIKeyWJNLDVIACBTDGE-UHFFFAOYSA-N
XLogP1.08
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-phenylpropylamino)pentan-1-ol
CID 62305220
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
(2R)-2-(but-3-enylamino)-2-phenylethanol
CID 14716014
2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol
CID 63183006
(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol
CID 24741569
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentane-1,5-diol
CID 15449406
3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol
CID 65377405
2-[2-(2-fluorophenyl)ethylamino]-2-phenylethanol
CID 110012007

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol?
The IUPAC name of 4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol (CID 63183327) is 4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol.
What is the SMILES notation for 4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol?
The canonical SMILES for 4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol is OCCCCNC(CO)c1ccccc1.
What is the InChIKey of 4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol?
The InChIKey is WJNLDVIACBTDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-9-5-4-8-13-12(10-15)11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2.
What are the key properties of 4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol?
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol is sourced from PubChem (CID 63183327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).