3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline

C15H17ClN2O2 — CID 103347663

IUPAC3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCCOc1ccc(NCc2cccc(OC)n2)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-3-20-14-8-7-11(9-13(14)16)17-10-12-5-4-6-15(18-12)19-2/h4-9,17H,3,10H2,1-2H3
InChIKeyJZVJVAYBMLWZLC-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.75
Rot. Bonds6

About 3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline

3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline (PubChem CID 103347663) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
PubChem CID103347663
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCCOc1ccc(NCc2cccc(OC)n2)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-3-20-14-8-7-11(9-13(14)16)17-10-12-5-4-6-15(18-12)19-2/h4-9,17H,3,10H2,1-2H3
InChIKeyJZVJVAYBMLWZLC-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

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150
N-[(6-bromo-2-pyridinyl)methyl]-3-chloro-4-methoxyaniline
CID 112581707
2-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63991749
3-chloro-4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 54864080
2-chloro-5-[(6-methoxy-2-pyridinyl)methylamino]-N-methylbenzamide
CID 103347678
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65026028
5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline
CID 103347674
2-[(3-chloro-4-ethoxyanilino)methyl]-6-fluorophenol
CID 115951574
3-chloro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 28774802
6-(2-methoxyethoxy)-N-[(6-methoxy-2-pyridinyl)methyl]pyridin-3-amine
CID 103347504
2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103478301

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The IUPAC name of 3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline (CID 103347663) is 3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The canonical SMILES for 3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline is CCOc1ccc(NCc2cccc(OC)n2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The InChIKey is JZVJVAYBMLWZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-20-14-8-7-11(9-13(14)16)17-10-12-5-4-6-15(18-12)19-2/h4-9,17H,3,10H2,1-2H3.
What are the key properties of 3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline 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 3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 103347663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).