5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline

C16H19ClN2O2 — CID 103347674

IUPAC5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NCc1cccc(OC)n1
InChIInChI=1S/C16H19ClN2O2/c1-3-9-21-15-8-7-12(17)10-14(15)18-11-13-5-4-6-16(19-13)20-2/h4-8,10,18H,3,9,11H2,1-2H3
InChIKeyILKJKSUKNXTRDN-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.14
Rot. Bonds7

About 5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline

5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline (PubChem CID 103347674) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline
PubChem CID103347674
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NCc1cccc(OC)n1
InChIInChI=1S/C16H19ClN2O2/c1-3-9-21-15-8-7-12(17)10-14(15)18-11-13-5-4-6-16(19-13)20-2/h4-8,10,18H,3,9,11H2,1-2H3
InChIKeyILKJKSUKNXTRDN-UHFFFAOYSA-N
XLogP4.14
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylaniline
CID 63993319
5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62746982
4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63985866
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline
CID 63453538
2-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63991749
3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347663
5-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-propoxyaniline
CID 87029729
3-[(5-chloro-2-propoxyanilino)methyl]benzonitrile
CID 60934911
4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid
CID 103347714
2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103478301
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline
CID 54864869

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline?
The IUPAC name of 5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline (CID 103347674) is 5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline.
What is the SMILES notation for 5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline?
The canonical SMILES for 5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline is CCCOc1ccc(Cl)cc1NCc1cccc(OC)n1.
What is the InChIKey of 5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline?
The InChIKey is ILKJKSUKNXTRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-3-9-21-15-8-7-12(17)10-14(15)18-11-13-5-4-6-16(19-13)20-2/h4-8,10,18H,3,9,11H2,1-2H3.
What are the key properties of 5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline?
5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline has a molecular weight of 306.79 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline is sourced from PubChem (CID 103347674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).