2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol

C18H23NO — CID 82123660

IUPAC2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(NCC(O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23NO/c1-12-7-13(2)9-17(8-12)19-11-18(20)16-6-5-14(3)15(4)10-16/h5-10,18-20H,11H2,1-4H3
InChIKeyXHFXQPWRJJKQQS-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.07
Rot. Bonds4

About 2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol

2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol (PubChem CID 82123660) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol
PubChem CID82123660
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(NCC(O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23NO/c1-12-7-13(2)9-17(8-12)19-11-18(20)16-6-5-14(3)15(4)10-16/h5-10,18-20H,11H2,1-4H3
InChIKeyXHFXQPWRJJKQQS-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002
1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol
CID 82121199
N-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 82119184
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
CID 55025105
2-(3-bromo-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63492470
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol
CID 133108525
2-(3-methylanilino)-1-naphthalen-2-ylethanol
CID 60903235
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol (CID 82123660) is 2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol is Cc1cc(C)cc(NCC(O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol?
The InChIKey is XHFXQPWRJJKQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-7-13(2)9-17(8-12)19-11-18(20)16-6-5-14(3)15(4)10-16/h5-10,18-20H,11H2,1-4H3.
What are the key properties of 2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol?
2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol has a molecular weight of 269.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 82123660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).