(1S)-1-(N-ethylanilino)propane-1,3-diol

C11H17NO2 — CID 124514584

IUPAC(1S)-1-(N-ethylanilino)propane-1,3-diol
SMILESCCN(c1ccccc1)[C@@H](O)CCO
InChIInChI=1S/C11H17NO2/c1-2-12(11(14)8-9-13)10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3/t11-/m0/s1
InChIKeyGOOASSUTTPLVES-NSHDSACASA-N
MW195.26 g/mol
LogP1.21
Rot. Bonds5

About (1S)-1-(N-ethylanilino)propane-1,3-diol

(1S)-1-(N-ethylanilino)propane-1,3-diol (PubChem CID 124514584) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1S)-1-(N-ethylanilino)propane-1,3-diol.

Molecular Properties

Compound Name(1S)-1-(N-ethylanilino)propane-1,3-diol
PubChem CID124514584
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1S)-1-(N-ethylanilino)propane-1,3-diol
SMILESCCN(c1ccccc1)[C@@H](O)CCO
InChIInChI=1S/C11H17NO2/c1-2-12(11(14)8-9-13)10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3/t11-/m0/s1
InChIKeyGOOASSUTTPLVES-NSHDSACASA-N
XLogP1.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.21
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

3-(N-phenylanilino)butan-1-ol
CID 67777000
1-(N-ethylanilino)propane-1-sulfonic acid
CID 19352883
2-(N-ethylanilino)butanenitrile
CID 21413076
1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol
CID 15026090
4-[benzyl(ethyl)amino]butane-1,3-diol
CID 142177129
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride
CID 19706422
4-[3-(N-ethylanilino)butyl]phenol
CID 82974928
2-(N-methylanilino)butane-1,4-diol
CID 19050625
2-[N-(1-phenylpentan-2-yl)anilino]ethanol
CID 67671910
1-(N-ethyl-4-phenyldiazenylanilino)ethanol
CID 23460666
N-ethyl-N-pent-1-en-3-ylaniline
CID 141318240

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(N-ethylanilino)propane-1,3-diol?
The IUPAC name of (1S)-1-(N-ethylanilino)propane-1,3-diol (CID 124514584) is (1S)-1-(N-ethylanilino)propane-1,3-diol.
What is the SMILES notation for (1S)-1-(N-ethylanilino)propane-1,3-diol?
The canonical SMILES for (1S)-1-(N-ethylanilino)propane-1,3-diol is CCN(c1ccccc1)[C@@H](O)CCO.
What is the InChIKey of (1S)-1-(N-ethylanilino)propane-1,3-diol?
The InChIKey is GOOASSUTTPLVES-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-12(11(14)8-9-13)10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(N-ethylanilino)propane-1,3-diol?
(1S)-1-(N-ethylanilino)propane-1,3-diol has a molecular weight of 195.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(N-ethylanilino)propane-1,3-diol is sourced from PubChem (CID 124514584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).