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

C13H13ClN2O — CID 91419838

IUPAC3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline
SMILESCc1cccc(CONc2cccc(Cl)c2)n1
InChIInChI=1S/C13H13ClN2O/c1-10-4-2-7-13(15-10)9-17-16-12-6-3-5-11(14)8-12/h2-8,16H,9H2,1H3
InChIKeyJTKDDAIUNXSULE-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.59
Rot. Bonds4

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

3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline (PubChem CID 91419838) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline
PubChem CID91419838
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline
SMILESCc1cccc(CONc2cccc(Cl)c2)n1
InChIInChI=1S/C13H13ClN2O/c1-10-4-2-7-13(15-10)9-17-16-12-6-3-5-11(14)8-12/h2-8,16H,9H2,1H3
InChIKeyJTKDDAIUNXSULE-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
N-[(2-bromophenyl)methoxy]-3-chloroaniline
CID 175709574
3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol
CID 18504624
4-chloro-2-[(6-methyl-2-pyridinyl)methoxy]benzenecarbothioamide
CID 114323098
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749
2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267407
2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
CID 104666335
2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine
CID 154993538
3-(3-chloroanilino)oxypropanoic acid
CID 142626478
3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 79267100

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline?
The IUPAC name of 3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline (CID 91419838) is 3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline is Cc1cccc(CONc2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline?
The InChIKey is JTKDDAIUNXSULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-10-4-2-7-13(15-10)9-17-16-12-6-3-5-11(14)8-12/h2-8,16H,9H2,1H3.
What are the key properties of 3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline?
3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline has a molecular weight of 248.71 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 91419838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).