2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine

C16H22N2 — CID 82576813

IUPAC2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine
SMILESCc1cc(C)c2c(C)cc(CC(C)CN)nc2c1
InChIInChI=1S/C16H22N2/c1-10-5-12(3)16-13(4)8-14(6-11(2)9-17)18-15(16)7-10/h5,7-8,11H,6,9,17H2,1-4H3
InChIKeyOKAFJCADXHQRTR-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.30
Rot. Bonds3

About 2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine

2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine (PubChem CID 82576813) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine
PubChem CID82576813
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine
SMILESCc1cc(C)c2c(C)cc(CC(C)CN)nc2c1
InChIInChI=1S/C16H22N2/c1-10-5-12(3)16-13(4)8-14(6-11(2)9-17)18-15(16)7-10/h5,7-8,11H,6,9,17H2,1-4H3
InChIKeyOKAFJCADXHQRTR-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine
CID 82576819
3-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpropan-1-amine
CID 83847571
3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine
CID 83880440
3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine
CID 82247293
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073665
(4,6,8-trimethylquinolin-2-yl)methanamine
CID 82573618
3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine
CID 82576903
3-(2,8-dimethylquinolin-6-yl)-2-methylpropan-1-amine
CID 82576782
2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine
CID 116898246
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 116965093
(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 79001891
N,2,3,5,7-pentamethylquinolin-4-amine
CID 62201677

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine (CID 82576813) is 2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine is Cc1cc(C)c2c(C)cc(CC(C)CN)nc2c1.
What is the InChIKey of 2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine?
The InChIKey is OKAFJCADXHQRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-5-12(3)16-13(4)8-14(6-11(2)9-17)18-15(16)7-10/h5,7-8,11H,6,9,17H2,1-4H3.
What are the key properties of 2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine?
2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine is sourced from PubChem (CID 82576813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).