2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol

C17H20ClNO — CID 60897560

IUPAC2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-12(2)13-6-8-14(9-7-13)17(20)11-19-16-5-3-4-15(18)10-16/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyVDLMPQPAMCUCIP-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.61
Rot. Bonds5

About 2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol

2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 60897560) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID60897560
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-12(2)13-6-8-14(9-7-13)17(20)11-19-16-5-3-4-15(18)10-16/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyVDLMPQPAMCUCIP-UHFFFAOYSA-N
XLogP4.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513
2-(3-ethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901862
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
CID 60724934
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
4-[1-hydroxy-2-(3-propan-2-ylanilino)ethyl]benzonitrile
CID 60900218
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
2-(3-bromo-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63492470
2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63487797
2-(2,6-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 62330797
1-chloro-3-(3-propan-2-ylanilino)propan-2-ol
CID 168640793
3-chloro-N-(2-methylpentyl)aniline
CID 43105827

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol (CID 60897560) is 2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CNc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is VDLMPQPAMCUCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12(2)13-6-8-14(9-7-13)17(20)11-19-16-5-3-4-15(18)10-16/h3-10,12,17,19-20H,11H2,1-2H3.
What are the key properties of 2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol?
2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 289.81 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 60897560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).