1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride

C11H18ClNO2 — CID 173430538

IUPAC1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride
SMILESCC(O)N(Cc1ccccc1)C(C)O.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11;/h3-7,9-10,13-14H,8H2,1-2H3;1H
InChIKeyVWXQKBJQYGLYHV-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.59
Rot. Bonds4

About 1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride

1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride (PubChem CID 173430538) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride
PubChem CID173430538
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride
SMILESCC(O)N(Cc1ccccc1)C(C)O.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11;/h3-7,9-10,13-14H,8H2,1-2H3;1H
InChIKeyVWXQKBJQYGLYHV-UHFFFAOYSA-N
XLogP1.59
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(N-benzylanilino)ethanol
CID 19010703
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
chloromethylbenzene;1-(dibenzylamino)ethanol
CID 66601956
1-[benzyl(hydroxy)amino]propan-2-ol
CID 14957155
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
2-[benzyl(propan-2-yl)amino]-3-methylbutanoic acid
CID 20993417
benzyl(trimethyl)phosphanium;hydrochloride
CID 154945285
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride?
The IUPAC name of 1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride (CID 173430538) is 1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride?
The canonical SMILES for 1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride is CC(O)N(Cc1ccccc1)C(C)O.Cl.
What is the InChIKey of 1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride?
The InChIKey is VWXQKBJQYGLYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11;/h3-7,9-10,13-14H,8H2,1-2H3;1H.
What are the key properties of 1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride?
1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 173430538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).