1-(3-chloroanilino)-3-ethoxypropan-2-ol

C11H16ClNO2 — CID 63932337

IUPAC1-(3-chloroanilino)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-2-15-8-11(14)7-13-10-5-3-4-9(12)6-10/h3-6,11,13-14H,2,7-8H2,1H3
InChIKeyHPNKTWJDPFNVLJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.15
Rot. Bonds6

About 1-(3-chloroanilino)-3-ethoxypropan-2-ol

1-(3-chloroanilino)-3-ethoxypropan-2-ol (PubChem CID 63932337) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-(3-chloroanilino)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-chloroanilino)-3-ethoxypropan-2-ol
PubChem CID63932337
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-(3-chloroanilino)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-2-15-8-11(14)7-13-10-5-3-4-9(12)6-10/h3-6,11,13-14H,2,7-8H2,1H3
InChIKeyHPNKTWJDPFNVLJ-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60896435
1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60896251
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
CID 60897562
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60896997
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60899181
1-N-(3-chlorophenyl)butane-1,2-diamine
CID 83944476
2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897560
3-chloro-N-(2-methylpentyl)aniline
CID 43105827
1-chloro-3-(3-ethoxyanilino)propan-2-ol
CID 168636629

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroanilino)-3-ethoxypropan-2-ol?
The IUPAC name of 1-(3-chloroanilino)-3-ethoxypropan-2-ol (CID 63932337) is 1-(3-chloroanilino)-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(3-chloroanilino)-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(3-chloroanilino)-3-ethoxypropan-2-ol is CCOCC(O)CNc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chloroanilino)-3-ethoxypropan-2-ol?
The InChIKey is HPNKTWJDPFNVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-2-15-8-11(14)7-13-10-5-3-4-9(12)6-10/h3-6,11,13-14H,2,7-8H2,1H3.
What are the key properties of 1-(3-chloroanilino)-3-ethoxypropan-2-ol?
1-(3-chloroanilino)-3-ethoxypropan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroanilino)-3-ethoxypropan-2-ol is sourced from PubChem (CID 63932337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).