2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline

C15H17ClN2O2 — CID 144784328

IUPAC2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline
SMILESCCOc1cccc(NC)c1COc1cnccc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-3-19-14-6-4-5-13(17-2)11(14)10-20-15-9-18-8-7-12(15)16/h4-9,17H,3,10H2,1-2H3
InChIKeyBIMXNLJGKJAZHR-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.75
Rot. Bonds6

About 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline

2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline (PubChem CID 144784328) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline.

Molecular Properties

Compound Name2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline
PubChem CID144784328
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline
SMILESCCOc1cccc(NC)c1COc1cnccc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-3-19-14-6-4-5-13(17-2)11(14)10-20-15-9-18-8-7-12(15)16/h4-9,17H,3,10H2,1-2H3
InChIKeyBIMXNLJGKJAZHR-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide
CID 144784338
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide
CID 144784027
4-chloro-3-propoxypyridine
CID 91927090
3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine
CID 173220801
1-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 105145038
3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144783928
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 114319172
3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144738896
3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
CID 144932971
3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144784654
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150
N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 103293346

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline?
The IUPAC name of 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline (CID 144784328) is 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline.
What is the SMILES notation for 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline?
The canonical SMILES for 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline is CCOc1cccc(NC)c1COc1cnccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline?
The InChIKey is BIMXNLJGKJAZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-19-14-6-4-5-13(17-2)11(14)10-20-15-9-18-8-7-12(15)16/h4-9,17H,3,10H2,1-2H3.
What are the key properties of 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline?
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline has a molecular weight of 292.77 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline is sourced from PubChem (CID 144784328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).