1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol

C13H19Cl2NO — CID 168640686

IUPAC1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol
SMILESCCc1ccc(Cl)c(CC)c1NCC(O)CCl
InChIInChI=1S/C13H19Cl2NO/c1-3-9-5-6-12(15)11(4-2)13(9)16-8-10(17)7-14/h5-6,10,16-17H,3-4,7-8H2,1-2H3
InChIKeyWWCBVHQUOCVZAT-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.48
Rot. Bonds6

About 1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol

1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol (PubChem CID 168640686) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol
PubChem CID168640686
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol
SMILESCCc1ccc(Cl)c(CC)c1NCC(O)CCl
InChIInChI=1S/C13H19Cl2NO/c1-3-9-5-6-12(15)11(4-2)13(9)16-8-10(17)7-14/h5-6,10,16-17H,3-4,7-8H2,1-2H3
InChIKeyWWCBVHQUOCVZAT-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 95771319
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669715
1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol
CID 168640690
1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890756
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide
CID 83083916
4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide
CID 116814873
1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
CID 47197433
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944969
5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide
CID 38908667

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol (CID 168640686) is 1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol is CCc1ccc(Cl)c(CC)c1NCC(O)CCl.
What is the InChIKey of 1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol?
The InChIKey is WWCBVHQUOCVZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-3-9-5-6-12(15)11(4-2)13(9)16-8-10(17)7-14/h5-6,10,16-17H,3-4,7-8H2,1-2H3.
What are the key properties of 1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol?
1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol has a molecular weight of 276.21 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol is sourced from PubChem (CID 168640686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).