4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol

C18H18N2O — CID 61238902

IUPAC4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
SMILESCc1cc(NCCc2ccc(O)cc2)c2ccccc2n1
InChIInChI=1S/C18H18N2O/c1-13-12-18(16-4-2-3-5-17(16)20-13)19-11-10-14-6-8-15(21)9-7-14/h2-9,12,21H,10-11H2,1H3,(H,19,20)
InChIKeyHSFHVCHNIMHKHR-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.90
Rot. Bonds4

About 4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol

4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol (PubChem CID 61238902) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
PubChem CID61238902
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
SMILESCc1cc(NCCc2ccc(O)cc2)c2ccccc2n1
InChIInChI=1S/C18H18N2O/c1-13-12-18(16-4-2-3-5-17(16)20-13)19-11-10-14-6-8-15(21)9-7-14/h2-9,12,21H,10-11H2,1H3,(H,19,20)
InChIKeyHSFHVCHNIMHKHR-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81037398
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine
CID 64530668
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
CID 63535075
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol (CID 61238902) is 4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol is Cc1cc(NCCc2ccc(O)cc2)c2ccccc2n1.
What is the InChIKey of 4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol?
The InChIKey is HSFHVCHNIMHKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-12-18(16-4-2-3-5-17(16)20-13)19-11-10-14-6-8-15(21)9-7-14/h2-9,12,21H,10-11H2,1H3,(H,19,20).
What are the key properties of 4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol?
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol has a molecular weight of 278.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 61238902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).