1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol

C17H20ClNO2 — CID 60896251

IUPAC1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-13(14-6-3-2-4-7-14)21-12-17(20)11-19-16-9-5-8-15(18)10-16/h2-10,13,17,19-20H,11-12H2,1H3
InChIKeyHSYSWRWYEPDTAQ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.89
Rot. Bonds7

About 1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol

1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol (PubChem CID 60896251) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol
PubChem CID60896251
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-13(14-6-3-2-4-7-14)21-12-17(20)11-19-16-9-5-8-15(18)10-16/h2-10,13,17,19-20H,11-12H2,1H3
InChIKeyHSYSWRWYEPDTAQ-UHFFFAOYSA-N
XLogP3.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloroanilino)-3-ethoxypropan-2-ol
CID 63932337
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60902275
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
methyl 3-(3-chloroanilino)-2-phenylpropanoate
CID 64565623
2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897560
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673
1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352877
1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol
CID 63837243
(2S)-2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79249364
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide
CID 112673959

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol (CID 60896251) is 1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol is CC(OCC(O)CNc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is HSYSWRWYEPDTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-13(14-6-3-2-4-7-14)21-12-17(20)11-19-16-9-5-8-15(18)10-16/h2-10,13,17,19-20H,11-12H2,1H3.
What are the key properties of 1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol?
1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 305.81 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 60896251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).