1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol

C16H17Cl2NO — CID 60899526

IUPAC1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
SMILESCc1cc(C)cc(NCC(O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-10-5-11(2)7-13(6-10)19-9-16(20)14-8-12(17)3-4-15(14)18/h3-8,16,19-20H,9H2,1-2H3
InChIKeyVLTBJKXLQCDGML-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.76
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol

1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol (PubChem CID 60899526) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
PubChem CID60899526
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
SMILESCc1cc(C)cc(NCC(O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-10-5-11(2)7-13(6-10)19-9-16(20)14-8-12(17)3-4-15(14)18/h3-8,16,19-20H,9H2,1-2H3
InChIKeyVLTBJKXLQCDGML-UHFFFAOYSA-N
XLogP4.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
CID 60901653
1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol
CID 63489373
2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107634052
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107592129
1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol
CID 60896402
1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol
CID 65106659
2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol
CID 63488275
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanol
CID 61083366
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
CID 81355780
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 61281619
1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol
CID 55261148

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol (CID 60899526) is 1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol is Cc1cc(C)cc(NCC(O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol?
The InChIKey is VLTBJKXLQCDGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-5-11(2)7-13(6-10)19-9-16(20)14-8-12(17)3-4-15(14)18/h3-8,16,19-20H,9H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol?
1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol has a molecular weight of 310.22 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol is sourced from PubChem (CID 60899526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).