3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline

C14H15ClN2O — CID 130196962

IUPAC3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline
SMILESCN(C)c1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-17(2)12-6-7-14(13(15)9-12)18-10-11-5-3-4-8-16-11/h3-9H,10H2,1-2H3
InChIKeyOKYUXQLLYCNZIU-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.38
Rot. Bonds4

About 3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline

3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline (PubChem CID 130196962) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline
PubChem CID130196962
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline
SMILESCN(C)c1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-17(2)12-6-7-14(13(15)9-12)18-10-11-5-3-4-8-16-11/h3-9H,10H2,1-2H3
InChIKeyOKYUXQLLYCNZIU-UHFFFAOYSA-N
XLogP3.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)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-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
CID 137421499
N,N-dimethyl-2-(pyridin-2-ylmethoxy)aniline
CID 22438672
2-[(2-chloro-4-isothiocyanatophenoxy)methyl]pyridine
CID 141429916
3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 61388852
2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde
CID 140945172
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1H-pyrazol-4-amine
CID 141149106
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
CID 52782034
2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine
CID 170931613
1-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 55031302
3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-methyl-1-[(1S,2R)-2-methylcyclohexyl]urea
CID 97023380

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline?
The IUPAC name of 3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline (CID 130196962) is 3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline.
What is the SMILES notation for 3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline?
The canonical SMILES for 3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline is CN(C)c1ccc(OCc2ccccn2)c(Cl)c1.
What is the InChIKey of 3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline?
The InChIKey is OKYUXQLLYCNZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-17(2)12-6-7-14(13(15)9-12)18-10-11-5-3-4-8-16-11/h3-9H,10H2,1-2H3.
What are the key properties of 3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline?
3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline has a molecular weight of 262.74 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline is sourced from PubChem (CID 130196962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).