1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol

C17H20ClNO2 — CID 60902136

IUPAC1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
SMILESCC(C)Oc1ccc(NCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO2/c1-12(2)21-16-9-7-15(8-10-16)19-11-17(20)13-3-5-14(18)6-4-13/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyTWVWUKSFEPGPIJ-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.27
Rot. Bonds6

About 1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol

1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol (PubChem CID 60902136) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
PubChem CID60902136
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
SMILESCC(C)Oc1ccc(NCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO2/c1-12(2)21-16-9-7-15(8-10-16)19-11-17(20)13-3-5-14(18)6-4-13/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyTWVWUKSFEPGPIJ-UHFFFAOYSA-N
XLogP4.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 125130843
2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 122145460
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724940
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63487797
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 63410917

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol (CID 60902136) is 1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol is CC(C)Oc1ccc(NCC(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol?
The InChIKey is TWVWUKSFEPGPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(2)21-16-9-7-15(8-10-16)19-11-17(20)13-3-5-14(18)6-4-13/h3-10,12,17,19-20H,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol?
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol has a molecular weight of 305.81 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol is sourced from PubChem (CID 60902136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).