2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline

C14H15ClN2 — CID 66251849

IUPAC2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
SMILESCc1cccc(Cl)c1NC(C)c1ccncc1
InChIInChI=1S/C14H15ClN2/c1-10-4-3-5-13(15)14(10)17-11(2)12-6-8-16-9-7-12/h3-9,11,17H,1-2H3
InChIKeyNEKBGEPHVXGUSI-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.22
Rot. Bonds3

About 2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline

2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline (PubChem CID 66251849) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
PubChem CID66251849
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
SMILESCc1cccc(Cl)c1NC(C)c1ccncc1
InChIInChI=1S/C14H15ClN2/c1-10-4-3-5-13(15)14(10)17-11(2)12-6-8-16-9-7-12/h3-9,11,17H,1-2H3
InChIKeyNEKBGEPHVXGUSI-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 113333687
3-chloro-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 43524029
5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol
CID 107706758
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43126484
2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline
CID 65467192
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43122983
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127
2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 66252833
2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline
CID 66254017
2-chloro-6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 66252412

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline (CID 66251849) is 2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline is Cc1cccc(Cl)c1NC(C)c1ccncc1.
What is the InChIKey of 2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline?
The InChIKey is NEKBGEPHVXGUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10-4-3-5-13(15)14(10)17-11(2)12-6-8-16-9-7-12/h3-9,11,17H,1-2H3.
What are the key properties of 2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline?
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline has a molecular weight of 246.74 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 66251849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).