2-(3-methylanilino)-2-quinolin-6-ylethanol

C18H18N2O — CID 63970817

IUPAC2-(3-methylanilino)-2-quinolin-6-ylethanol
SMILESCc1cccc(NC(CO)c2ccc3ncccc3c2)c1
InChIInChI=1S/C18H18N2O/c1-13-4-2-6-16(10-13)20-18(12-21)15-7-8-17-14(11-15)5-3-9-19-17/h2-11,18,20-21H,12H2,1H3
InChIKeyOKXLPHLNWWUHNO-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.69
Rot. Bonds4

About 2-(3-methylanilino)-2-quinolin-6-ylethanol

2-(3-methylanilino)-2-quinolin-6-ylethanol (PubChem CID 63970817) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(3-methylanilino)-2-quinolin-6-ylethanol.

Molecular Properties

Compound Name2-(3-methylanilino)-2-quinolin-6-ylethanol
PubChem CID63970817
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(3-methylanilino)-2-quinolin-6-ylethanol
SMILESCc1cccc(NC(CO)c2ccc3ncccc3c2)c1
InChIInChI=1S/C18H18N2O/c1-13-4-2-6-16(10-13)20-18(12-21)15-7-8-17-14(11-15)5-3-9-19-17/h2-11,18,20-21H,12H2,1H3
InChIKeyOKXLPHLNWWUHNO-UHFFFAOYSA-N
XLogP3.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
2-(2-bromoanilino)-2-quinolin-6-ylethanol
CID 63970821
2-(2-methylpropylamino)-2-quinolin-6-ylethanol
CID 63968528
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
CID 106818139
2-(3-iodophenyl)-2-(3-methylanilino)ethanol
CID 114283122
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61049384
2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
CID 62131550
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol
CID 61050381
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
CID 65378237

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-2-quinolin-6-ylethanol?
The IUPAC name of 2-(3-methylanilino)-2-quinolin-6-ylethanol (CID 63970817) is 2-(3-methylanilino)-2-quinolin-6-ylethanol.
What is the SMILES notation for 2-(3-methylanilino)-2-quinolin-6-ylethanol?
The canonical SMILES for 2-(3-methylanilino)-2-quinolin-6-ylethanol is Cc1cccc(NC(CO)c2ccc3ncccc3c2)c1.
What is the InChIKey of 2-(3-methylanilino)-2-quinolin-6-ylethanol?
The InChIKey is OKXLPHLNWWUHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-4-2-6-16(10-13)20-18(12-21)15-7-8-17-14(11-15)5-3-9-19-17/h2-11,18,20-21H,12H2,1H3.
What are the key properties of 2-(3-methylanilino)-2-quinolin-6-ylethanol?
2-(3-methylanilino)-2-quinolin-6-ylethanol has a molecular weight of 278.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-2-quinolin-6-ylethanol is sourced from PubChem (CID 63970817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).