2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol

C18H18N2O — CID 63228896

IUPAC2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol
SMILESCc1cc2ccccc2nc1NC(CO)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-13-11-15-9-5-6-10-16(15)19-18(13)20-17(12-21)14-7-3-2-4-8-14/h2-11,17,21H,12H2,1H3,(H,19,20)
InChIKeyYKKCCHCRNAONIV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.69
Rot. Bonds4

About 2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol

2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol (PubChem CID 63228896) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol
PubChem CID63228896
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol
SMILESCc1cc2ccccc2nc1NC(CO)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-13-11-15-9-5-6-10-16(15)19-18(13)20-17(12-21)14-7-3-2-4-8-14/h2-11,17,21H,12H2,1H3,(H,19,20)
InChIKeyYKKCCHCRNAONIV-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

4-[1-[(3-methylquinolin-2-yl)amino]butyl]benzoic acid
CID 71239463
4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol
CID 106350873
2-[(3-methylquinolin-2-yl)amino]propanamide
CID 63229343
3-methyl-N-octan-4-ylquinolin-2-amine
CID 106026571
N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine
CID 63229227
N-(1-methoxypropan-2-yl)-3-methylquinolin-2-amine
CID 63229340
methyl 2-[(3-methylquinolin-2-yl)amino]propanoate
CID 63229182
1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine
CID 55173421
3-methyl-N-(1-thiophen-3-ylethyl)quinolin-2-amine
CID 63229433
(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 135104502
2-[(6-methyl-2-pyridinyl)amino]-2-phenylethanol
CID 63183355
1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol
CID 63296727

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol?
The IUPAC name of 2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol (CID 63228896) is 2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol is Cc1cc2ccccc2nc1NC(CO)c1ccccc1.
What is the InChIKey of 2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol?
The InChIKey is YKKCCHCRNAONIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-11-15-9-5-6-10-16(15)19-18(13)20-17(12-21)14-7-3-2-4-8-14/h2-11,17,21H,12H2,1H3,(H,19,20).
What are the key properties of 2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol?
2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol 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-methylquinolin-2-yl)amino]-2-phenylethanol is sourced from PubChem (CID 63228896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).