1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol

C11H16ClNO2 — CID 168636319

IUPAC1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol
SMILESOCCc1ccccc1NCC(O)CCl
InChIInChI=1S/C11H16ClNO2/c12-7-10(15)8-13-11-4-2-1-3-9(11)5-6-14/h1-4,10,13-15H,5-8H2
InChIKeyKKECVKKSVBEZLL-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.23
Rot. Bonds6

About 1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol

1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol (PubChem CID 168636319) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol
PubChem CID168636319
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol
SMILESOCCc1ccccc1NCC(O)CCl
InChIInChI=1S/C11H16ClNO2/c12-7-10(15)8-13-11-4-2-1-3-9(11)5-6-14/h1-4,10,13-15H,5-8H2
InChIKeyKKECVKKSVBEZLL-UHFFFAOYSA-N
XLogP1.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(sulfanylamino)phenyl]ethanol
CID 88722415
1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol
CID 168639689
1-anilino-3-chloropropan-2-ol
CID 3640254
4-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzonitrile
CID 168641046
1-[(3-chloro-2-hydroxypropyl)amino]anthracene-9,10-dione
CID 3142375
2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
CID 168640662
1-ethoxy-3-(2-ethylanilino)propan-2-ol
CID 63934398
4-[(3-chloro-2-hydroxypropyl)amino]naphthalen-1-ol
CID 168636995
1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol
CID 168636481
1-chloro-3-[2-(2-phenoxyethylamino)anilino]propan-2-ol
CID 168637327
2-methyl-3-(2-propylanilino)propan-1-ol
CID 115872000
3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol
CID 171861982

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol (CID 168636319) is 1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol is OCCc1ccccc1NCC(O)CCl.
What is the InChIKey of 1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol?
The InChIKey is KKECVKKSVBEZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c12-7-10(15)8-13-11-4-2-1-3-9(11)5-6-14/h1-4,10,13-15H,5-8H2.
What are the key properties of 1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol?
1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol is sourced from PubChem (CID 168636319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).