2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol

C19H25NO — CID 61236945

IUPAC2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
SMILESCC(C)c1ccc(C(C)Nc2ccc(CCO)cc2)cc1
InChIInChI=1S/C19H25NO/c1-14(2)17-6-8-18(9-7-17)15(3)20-19-10-4-16(5-11-19)12-13-21/h4-11,14-15,20-21H,12-13H2,1-3H3
InChIKeyASSPESZPUCXMMF-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.52
Rot. Bonds6

About 2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol

2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol (PubChem CID 61236945) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
PubChem CID61236945
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
SMILESCC(C)c1ccc(C(C)Nc2ccc(CCO)cc2)cc1
InChIInChI=1S/C19H25NO/c1-14(2)17-6-8-18(9-7-17)15(3)20-19-10-4-16(5-11-19)12-13-21/h4-11,14-15,20-21H,12-13H2,1-3H3
InChIKeyASSPESZPUCXMMF-UHFFFAOYSA-N
XLogP4.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927
2-[4-[1-(4-fluorophenyl)ethylamino]phenyl]ethanol
CID 61236407
2-[4-[1-[4-(dimethylamino)phenyl]ethylamino]phenyl]ethanol
CID 61238255
2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol
CID 61236951
4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 110907925
2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol
CID 61236609
2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol
CID 61236588
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43093665
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
[4-(1-phenylethylamino)phenyl]methanol
CID 112706513
2-[4-(2-hydroxyethyl)anilino]propanoic acid
CID 66174351

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol (CID 61236945) is 2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol is CC(C)c1ccc(C(C)Nc2ccc(CCO)cc2)cc1.
What is the InChIKey of 2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol?
The InChIKey is ASSPESZPUCXMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)17-6-8-18(9-7-17)15(3)20-19-10-4-16(5-11-19)12-13-21/h4-11,14-15,20-21H,12-13H2,1-3H3.
What are the key properties of 2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol?
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol has a molecular weight of 283.42 g/mol, XLogP of 4.52, 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-propan-2-ylphenyl)ethylamino]phenyl]ethanol is sourced from PubChem (CID 61236945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).