2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol

C17H20ClNO — CID 103932218

IUPAC2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol
SMILESCC(Cc1ccc(Cl)cc1)Nc1ccc(CCO)cc1
InChIInChI=1S/C17H20ClNO/c1-13(12-15-2-6-16(18)7-3-15)19-17-8-4-14(5-9-17)10-11-20/h2-9,13,19-20H,10-12H2,1H3
InChIKeyPOWSZFGHXDMRJC-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.92
Rot. Bonds6

About 2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol

2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol (PubChem CID 103932218) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol
PubChem CID103932218
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol
SMILESCC(Cc1ccc(Cl)cc1)Nc1ccc(CCO)cc1
InChIInChI=1S/C17H20ClNO/c1-13(12-15-2-6-16(18)7-3-15)19-17-8-4-14(5-9-17)10-11-20/h2-9,13,19-20H,10-12H2,1H3
InChIKeyPOWSZFGHXDMRJC-UHFFFAOYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
CID 115494265
(2S)-2-(4-chloroanilino)propan-1-ol
CID 66929513
2-[4-(pentan-2-ylamino)phenyl]ethanol
CID 61237126
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
CID 61236945
N-[1-(4-chlorophenyl)propan-2-yl]-3-methylaniline
CID 114081193
1-bromo-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]ethanamine;2-(4-chlorophenyl)ethanol;propan-2-ol
CID 67017125
2-[4-(2-hydroxyethyl)anilino]propanoic acid
CID 66174351
[2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol
CID 103935860
2-N-(4-chlorophenyl)propane-1,2-diamine
CID 55267436
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
2-[4-(heptan-4-ylamino)phenyl]ethanol
CID 61236944

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol (CID 103932218) is 2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol is CC(Cc1ccc(Cl)cc1)Nc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol?
The InChIKey is POWSZFGHXDMRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(12-15-2-6-16(18)7-3-15)19-17-8-4-14(5-9-17)10-11-20/h2-9,13,19-20H,10-12H2,1H3.
What are the key properties of 2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol?
2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol has a molecular weight of 289.81 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol is sourced from PubChem (CID 103932218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).