4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline

C18H17ClN2 — CID 79031823

IUPAC4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
SMILESCc1cc(CNc2ccc(Cl)cc2C)c2ccccc2n1
InChIInChI=1S/C18H17ClN2/c1-12-9-15(19)7-8-17(12)20-11-14-10-13(2)21-18-6-4-3-5-16(14)18/h3-10,20H,11H2,1-2H3
InChIKeyJYUMWJHREOYUEB-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.12
Rot. Bonds3

About 4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline

4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline (PubChem CID 79031823) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
PubChem CID79031823
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
SMILESCc1cc(CNc2ccc(Cl)cc2C)c2ccccc2n1
InChIInChI=1S/C18H17ClN2/c1-12-9-15(19)7-8-17(12)20-11-14-10-13(2)21-18-6-4-3-5-16(14)18/h3-10,20H,11H2,1-2H3
InChIKeyJYUMWJHREOYUEB-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031822
2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031818
2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 103697091
3,4-dichloro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233028
2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233279
1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978652
4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43766570
4-chloro-N-(isoquinolin-5-ylmethyl)-2-methylaniline
CID 62823888
1-(6-chloro-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449106
2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol
CID 107699881
4-bromo-3-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233016
4-chloro-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416780

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline?
The IUPAC name of 4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline (CID 79031823) is 4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline?
The canonical SMILES for 4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline is Cc1cc(CNc2ccc(Cl)cc2C)c2ccccc2n1.
What is the InChIKey of 4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline?
The InChIKey is JYUMWJHREOYUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-12-9-15(19)7-8-17(12)20-11-14-10-13(2)21-18-6-4-3-5-16(14)18/h3-10,20H,11H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline?
4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline has a molecular weight of 296.80 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline is sourced from PubChem (CID 79031823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).