N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine

C15H17ClN2O2 — CID 106505088

IUPACN-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine
SMILESCCOc1ccc(Nc2ccc(OC)cn2)cc1CCl
InChIInChI=1S/C15H17ClN2O2/c1-3-20-14-6-4-12(8-11(14)9-16)18-15-7-5-13(19-2)10-17-15/h4-8,10H,3,9H2,1-2H3,(H,17,18)
InChIKeyDVJCEXBEPBKRLB-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.97
Rot. Bonds6

About N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine

N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine (PubChem CID 106505088) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine
PubChem CID106505088
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine
SMILESCCOc1ccc(Nc2ccc(OC)cn2)cc1CCl
InChIInChI=1S/C15H17ClN2O2/c1-3-20-14-6-4-12(8-11(14)9-16)18-15-7-5-13(19-2)10-17-15/h4-8,10H,3,9H2,1-2H3,(H,17,18)
InChIKeyDVJCEXBEPBKRLB-UHFFFAOYSA-N
XLogP3.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(chloromethyl)-4-ethoxyphenyl]-6-ethylpyrimidin-4-amine
CID 65028591
5-bromo-N-(3-ethyl-4-methoxyphenyl)pyridin-2-amine
CID 115146469
N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65272748
3-(chloromethyl)-4-ethoxy-N-(2-fluoroethyl)aniline
CID 80696118
N-butyl-3-(chloromethyl)-4-ethoxyaniline
CID 65024868
N-[3-(chloromethyl)-4-ethoxyphenyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 65028798
3-(chloromethyl)-4-ethoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 112644384
5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 66218090
3-(chloromethyl)-4-ethoxy-N-(3-ethoxypropyl)aniline
CID 65178379
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113019129
ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113019994

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine?
The IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine (CID 106505088) is N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine.
What is the SMILES notation for N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine?
The canonical SMILES for N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine is CCOc1ccc(Nc2ccc(OC)cn2)cc1CCl.
What is the InChIKey of N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine?
The InChIKey is DVJCEXBEPBKRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-20-14-6-4-12(8-11(14)9-16)18-15-7-5-13(19-2)10-17-15/h4-8,10H,3,9H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine?
N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine is sourced from PubChem (CID 106505088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).