2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline

C13H12Cl2N2 — CID 79267407

IUPAC2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCc1cccc(CNc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H12Cl2N2/c1-9-3-2-4-11(17-9)8-16-13-6-5-10(14)7-12(13)15/h2-7,16H,8H2,1H3
InChIKeyYSOMZAJHQHYSKU-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.31
Rot. Bonds3

About 2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline

2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 79267407) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
PubChem CID79267407
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCc1cccc(CNc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H12Cl2N2/c1-9-3-2-4-11(17-9)8-16-13-6-5-10(14)7-12(13)15/h2-7,16H,8H2,1H3
InChIKeyYSOMZAJHQHYSKU-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 63081656
2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267404
4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79266900
4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267494
3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267863
2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 105378164
4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63985866
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 62482411
3-fluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 62711146
3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine
CID 62323012
2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 107644377

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline (CID 79267407) is 2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline is Cc1cccc(CNc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is YSOMZAJHQHYSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-9-3-2-4-11(17-9)8-16-13-6-5-10(14)7-12(13)15/h2-7,16H,8H2,1H3.
What are the key properties of 2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline?
2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 267.16 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 79267407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).