3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine

C16H21FN2O — CID 82577151

IUPAC3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
SMILESCOc1cc(C)nc2c(CC(C)(C)CN)cc(F)cc12
InChIInChI=1S/C16H21FN2O/c1-10-5-14(20-4)13-7-12(17)6-11(15(13)19-10)8-16(2,3)9-18/h5-7H,8-9,18H2,1-4H3
InChIKeyJJNQUEJMSDZSEB-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.22
Rot. Bonds4

About 3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine

3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine (PubChem CID 82577151) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
PubChem CID82577151
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
SMILESCOc1cc(C)nc2c(CC(C)(C)CN)cc(F)cc12
InChIInChI=1S/C16H21FN2O/c1-10-5-14(20-4)13-7-12(17)6-11(15(13)19-10)8-16(2,3)9-18/h5-7H,8-9,18H2,1-4H3
InChIKeyJJNQUEJMSDZSEB-UHFFFAOYSA-N
XLogP3.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine with MolForge

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Related Compounds

2-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)acetamide
CID 82575448
3-(6-fluoro-4-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577025
3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 82111061
3-(4-methoxy-2-methylquinolin-6-yl)-2,2-dimethylpropan-1-amine
CID 82577143
3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577142
3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577016
1-(4-methoxy-2-methylquinolin-8-yl)-2-methylpropan-2-amine
CID 82577379
3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine
CID 82577098
3-(5,8-dichloro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine
CID 82577122
2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid
CID 82575003
(6,8-difluoro-2-methylquinolin-4-yl)methanamine
CID 82507508
4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine
CID 82577711

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine (CID 82577151) is 3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine is COc1cc(C)nc2c(CC(C)(C)CN)cc(F)cc12.
What is the InChIKey of 3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is JJNQUEJMSDZSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-10-5-14(20-4)13-7-12(17)6-11(15(13)19-10)8-16(2,3)9-18/h5-7H,8-9,18H2,1-4H3.
What are the key properties of 3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine?
3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 276.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82577151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).