4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline

C15H17ClN2O2 — CID 43192168

IUPAC4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
SMILESCOc1cc(NC(C)c2ccccn2)c(OC)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10(12-6-4-5-7-17-12)18-13-9-14(19-2)11(16)8-15(13)20-3/h4-10,18H,1-3H3
InChIKeyPYJBNEXLDFFSPS-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.93
Rot. Bonds5

About 4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline

4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline (PubChem CID 43192168) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
PubChem CID43192168
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
SMILESCOc1cc(NC(C)c2ccccn2)c(OC)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10(12-6-4-5-7-17-12)18-13-9-14(19-2)11(16)8-15(13)20-3/h4-10,18H,1-3H3
InChIKeyPYJBNEXLDFFSPS-UHFFFAOYSA-N
XLogP3.93
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline 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

2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol
CID 43105239
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 54863996
5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline
CID 60934913
7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
CID 155897183
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43111565
4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43192175
4-chloro-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524369
4-ethoxy-3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43717313
3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43729895
3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
2-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43191702

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline (CID 43192168) is 4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline is COc1cc(NC(C)c2ccccn2)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline?
The InChIKey is PYJBNEXLDFFSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10(12-6-4-5-7-17-12)18-13-9-14(19-2)11(16)8-15(13)20-3/h4-10,18H,1-3H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline?
4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline has a molecular weight of 292.77 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 43192168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).