2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline

C13H12Cl2N2 — CID 104726372

IUPAC2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCc1cc(Cl)c(NCc2ccncc2)cc1Cl
InChIInChI=1S/C13H12Cl2N2/c1-9-6-12(15)13(7-11(9)14)17-8-10-2-4-16-5-3-10/h2-7,17H,8H2,1H3
InChIKeyQTCGYEHSNSDIND-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.31
Rot. Bonds3

About 2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline

2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 104726372) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID104726372
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCc1cc(Cl)c(NCc2ccncc2)cc1Cl
InChIInChI=1S/C13H12Cl2N2/c1-9-6-12(15)13(7-11(9)14)17-8-10-2-4-16-5-3-10/h2-7,17H,8H2,1H3
InChIKeyQTCGYEHSNSDIND-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

N-[(4-tert-butylphenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726041
2,5-dichloro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 113445808
[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol
CID 115969675
2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline
CID 104726046
4-[(2,5-dichloro-4-methylanilino)methyl]benzoic acid
CID 104726007
6-chloro-N-(pyridin-4-ylmethyl)-1,3-benzodioxol-5-amine
CID 43685814
2,5-dichloro-4-methyl-N-[(4-propoxyphenyl)methyl]aniline
CID 104726150
2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 104723469
N-[(3-bromo-4-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726083
4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
CID 792097
2,5-dichloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 104726294
2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 104725967

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline (CID 104726372) is 2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline is Cc1cc(Cl)c(NCc2ccncc2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is QTCGYEHSNSDIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-9-6-12(15)13(7-11(9)14)17-8-10-2-4-16-5-3-10/h2-7,17H,8H2,1H3.
What are the key properties of 2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline?
2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)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 2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 104726372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).