2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol

C14H13Cl2NO — CID 61048136

IUPAC2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
SMILESOCC(Nc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-11-7-5-10(6-8-11)14(9-18)17-13-4-2-1-3-12(13)16/h1-8,14,17-18H,9H2
InChIKeyYDRPBUKDJGVDIG-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.14
Rot. Bonds4

About 2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol

2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol (PubChem CID 61048136) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
PubChem CID61048136
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
SMILESOCC(Nc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-11-7-5-10(6-8-11)14(9-18)17-13-4-2-1-3-12(13)16/h1-8,14,17-18H,9H2
InChIKeyYDRPBUKDJGVDIG-UHFFFAOYSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(2-fluoroanilino)ethanol
CID 61050485
2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61047739
2-chloro-N-[1-(4-chlorophenyl)but-3-enyl]aniline
CID 11335311
2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528114
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488475
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol
CID 61047741
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol?
The IUPAC name of 2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol (CID 61048136) is 2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol is OCC(Nc1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol?
The InChIKey is YDRPBUKDJGVDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-11-7-5-10(6-8-11)14(9-18)17-13-4-2-1-3-12(13)16/h1-8,14,17-18H,9H2.
What are the key properties of 2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol?
2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol has a molecular weight of 282.17 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 61048136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).