2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol

C19H25NO — CID 60903681

IUPAC2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C19H25NO/c1-13(2)16-6-8-17(9-7-16)19(21)12-20-18-10-5-14(3)11-15(18)4/h5-11,13,19-21H,12H2,1-4H3
InChIKeyOXPCOUNBSFZARJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.57
Rot. Bonds5

About 2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol

2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 60903681) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID60903681
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C19H25NO/c1-13(2)16-6-8-17(9-7-16)19(21)12-20-18-10-5-14(3)11-15(18)4/h5-11,13,19-21H,12H2,1-4H3
InChIKeyOXPCOUNBSFZARJ-UHFFFAOYSA-N
XLogP4.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901348
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
(2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol
CID 70539153
2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 107606651
2-(2,6-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 62330797
2-(3-bromo-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63492470
2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 107634665
2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 60896340

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol (CID 60903681) is 2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol is Cc1ccc(NCC(O)c2ccc(C(C)C)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is OXPCOUNBSFZARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13(2)16-6-8-17(9-7-16)19(21)12-20-18-10-5-14(3)11-15(18)4/h5-11,13,19-21H,12H2,1-4H3.
What are the key properties of 2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol?
2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 283.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 60903681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).