1-(N-benzylanilino)ethanol

C15H17NO — CID 19010703

IUPAC1-(N-benzylanilino)ethanol
SMILESCC(O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3
InChIKeyIZVAZAFKVRNZDS-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.03
Rot. Bonds4

About 1-(N-benzylanilino)ethanol

1-(N-benzylanilino)ethanol (PubChem CID 19010703) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(N-benzylanilino)ethanol.

Molecular Properties

Compound Name1-(N-benzylanilino)ethanol
PubChem CID19010703
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-(N-benzylanilino)ethanol
SMILESCC(O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3
InChIKeyIZVAZAFKVRNZDS-UHFFFAOYSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride
CID 173430538
1-[benzyl(hydroxy)amino]propan-2-ol
CID 14957155
4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline
CID 43188769
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
chloromethylbenzene;1-(dibenzylamino)ethanol
CID 66601956
1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol
CID 15026090
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
(2R,3S)-2-(N-benzylanilino)-3-ethylhex-5-en-3-ol
CID 178185677
(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
CID 26458234
N-benzyl-N-phenylhydroxylamine
CID 10241871
N-benzyl-N-(2-hydroxypropyl)nitrous amide
CID 12684762
N,N-dibenzylaniline
CID 139071697

Frequently Asked Questions

What is the IUPAC name of 1-(N-benzylanilino)ethanol?
The IUPAC name of 1-(N-benzylanilino)ethanol (CID 19010703) is 1-(N-benzylanilino)ethanol.
What is the SMILES notation for 1-(N-benzylanilino)ethanol?
The canonical SMILES for 1-(N-benzylanilino)ethanol is CC(O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(N-benzylanilino)ethanol?
The InChIKey is IZVAZAFKVRNZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3.
What are the key properties of 1-(N-benzylanilino)ethanol?
1-(N-benzylanilino)ethanol has a molecular weight of 227.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-benzylanilino)ethanol is sourced from PubChem (CID 19010703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).