2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline

C14H15ClN2 — CID 103880797

IUPAC2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2cc(C)ccc2Cl)nc1
InChIInChI=1S/C14H15ClN2/c1-10-4-6-13(15)14(7-10)17-9-12-5-3-11(2)8-16-12/h3-8,17H,9H2,1-2H3
InChIKeyKKLAXCAYXRPNGL-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.96
Rot. Bonds3

About 2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline

2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline (PubChem CID 103880797) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
PubChem CID103880797
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2cc(C)ccc2Cl)nc1
InChIInChI=1S/C14H15ClN2/c1-10-4-6-13(15)14(7-10)17-9-12-5-3-11(2)8-16-12/h3-8,17H,9H2,1-2H3
InChIKeyKKLAXCAYXRPNGL-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
CID 113344581
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 81311269
methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate
CID 107634700
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312999
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline
CID 81308331
2-chloro-3-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 113344595
2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline
CID 107631263
2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81307043
N-benzyl-2-chloro-5-methylaniline
CID 83290853
3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81311545
2-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-methylaniline
CID 107634826

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline (CID 103880797) is 2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline is Cc1ccc(CNc2cc(C)ccc2Cl)nc1.
What is the InChIKey of 2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is KKLAXCAYXRPNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10-4-6-13(15)14(7-10)17-9-12-5-3-11(2)8-16-12/h3-8,17H,9H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline?
2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 246.74 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 103880797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).