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

C14H15ClN2O — CID 114936385

IUPAC2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
SMILESCOc1ccc(CNc2ccc(C)cc2Cl)cn1
InChIInChI=1S/C14H15ClN2O/c1-10-3-5-13(12(15)7-10)16-8-11-4-6-14(18-2)17-9-11/h3-7,9,16H,8H2,1-2H3
InChIKeyZBOHDUFEMUNUCG-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.66
Rot. Bonds4

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

2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline (PubChem CID 114936385) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
PubChem CID114936385
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
SMILESCOc1ccc(CNc2ccc(C)cc2Cl)cn1
InChIInChI=1S/C14H15ClN2O/c1-10-3-5-13(12(15)7-10)16-8-11-4-6-14(18-2)17-9-11/h3-7,9,16H,8H2,1-2H3
InChIKeyZBOHDUFEMUNUCG-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114051940
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114936877
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylaniline
CID 114936803
3-[(6-methoxy-3-pyridinyl)methylamino]-2,6-dimethylphenol
CID 114936585
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142176
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-4-methylaniline
CID 43772637
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936392
2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline?
The IUPAC name of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline (CID 114936385) is 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline.
What is the SMILES notation for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline?
The canonical SMILES for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline is COc1ccc(CNc2ccc(C)cc2Cl)cn1.
What is the InChIKey of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline?
The InChIKey is ZBOHDUFEMUNUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10-3-5-13(12(15)7-10)16-8-11-4-6-14(18-2)17-9-11/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline?
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline has a molecular weight of 262.74 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline is sourced from PubChem (CID 114936385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).