3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine

C15H17ClN2 — CID 81238500

IUPAC3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine
SMILESCCN(c1ccccc1C)c1ccncc1CCl
InChIInChI=1S/C15H17ClN2/c1-3-18(14-7-5-4-6-12(14)2)15-8-9-17-11-13(15)10-16/h4-9,11H,3,10H2,1-2H3
InChIKeyQCWAHFRLVGDIKU-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.29
Rot. Bonds4

About 3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine

3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine (PubChem CID 81238500) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine
PubChem CID81238500
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine
SMILESCCN(c1ccccc1C)c1ccncc1CCl
InChIInChI=1S/C15H17ClN2/c1-3-18(14-7-5-4-6-12(14)2)15-8-9-17-11-13(15)10-16/h4-9,11H,3,10H2,1-2H3
InChIKeyQCWAHFRLVGDIKU-UHFFFAOYSA-N
XLogP4.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine
CID 81249174
[4-(N-ethyl-2-methylanilino)-3-pyridinyl]methanol
CID 81238710
N-ethyl-4-(methylaminomethyl)-N-(2-methylphenyl)pyridin-3-amine
CID 105072688
5-N-ethyl-5-N-(2-methylphenyl)isoquinoline-5,8-diamine
CID 43448667
4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63540061
N-ethyl-N-[2-(ethylaminomethyl)phenyl]-2-methylaniline
CID 43280687
4-(chloromethyl)-N-ethyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine
CID 63445678
N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine
CID 81238160
3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
CID 81237062
3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine
CID 104833908
3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine
CID 81238671
4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine
CID 105067407

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine?
The IUPAC name of 3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine (CID 81238500) is 3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine.
What is the SMILES notation for 3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine?
The canonical SMILES for 3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine is CCN(c1ccccc1C)c1ccncc1CCl.
What is the InChIKey of 3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine?
The InChIKey is QCWAHFRLVGDIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-3-18(14-7-5-4-6-12(14)2)15-8-9-17-11-13(15)10-16/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine?
3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine has a molecular weight of 260.77 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine is sourced from PubChem (CID 81238500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).