3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine

C16H21ClN2 — CID 82577016

IUPAC3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine
SMILESCc1cc(C)c2cc(Cl)cc(CC(C)(C)CN)c2n1
InChIInChI=1S/C16H21ClN2/c1-10-5-11(2)19-15-12(8-16(3,4)9-18)6-13(17)7-14(10)15/h5-7H,8-9,18H2,1-4H3
InChIKeyOLFYANMKTRFKGO-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.03
Rot. Bonds3

About 3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine

3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine (PubChem CID 82577016) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine
PubChem CID82577016
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine
SMILESCc1cc(C)c2cc(Cl)cc(CC(C)(C)CN)c2n1
InChIInChI=1S/C16H21ClN2/c1-10-5-11(2)19-15-12(8-16(3,4)9-18)6-13(17)7-14(10)15/h5-7H,8-9,18H2,1-4H3
InChIKeyOLFYANMKTRFKGO-UHFFFAOYSA-N
XLogP4.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577142
3-(5,8-dichloro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine
CID 82577122
3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577151
3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine
CID 82577098
8-bromo-6-chloro-2,4-dimethylquinoline
CID 82580896
3-(7-chloroisoquinolin-5-yl)-2,2-dimethylpropan-1-amine
CID 82576965
3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine
CID 82577007
6-chloro-2,4-dimethylquinoline-8-carbothioamide
CID 82574189
2-(6-chloro-2,8-dimethylquinolin-4-yl)ethanamine
CID 82575608
1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine
CID 82577241
3-(6-fluoro-4-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577025
6-chloro-2,4-dimethylquinoline-8-carboxylic acid
CID 82574745

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine (CID 82577016) is 3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine is Cc1cc(C)c2cc(Cl)cc(CC(C)(C)CN)c2n1.
What is the InChIKey of 3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is OLFYANMKTRFKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-10-5-11(2)19-15-12(8-16(3,4)9-18)6-13(17)7-14(10)15/h5-7H,8-9,18H2,1-4H3.
What are the key properties of 3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine?
3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 276.81 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82577016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).