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

C15H17ClN2O — CID 82893507

IUPAC3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
SMILESCOc1cc(C)nc(CNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O/c1-10-4-5-12(8-15(10)16)17-9-13-7-14(19-3)6-11(2)18-13/h4-8,17H,9H2,1-3H3
InChIKeyOZDWFJZUYSTQIS-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.97
Rot. Bonds4

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

3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline (PubChem CID 82893507) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
PubChem CID82893507
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
SMILESCOc1cc(C)nc(CNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O/c1-10-4-5-12(8-15(10)16)17-9-13-7-14(19-3)6-11(2)18-13/h4-8,17H,9H2,1-3H3
InChIKeyOZDWFJZUYSTQIS-UHFFFAOYSA-N
XLogP3.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893201
2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893270
2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 107606547
2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile
CID 82893368
N'-(3-chloro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54810118
2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 83081751
3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54807166
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 106816044
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
CID 82893811

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline (CID 82893507) is 3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline is COc1cc(C)nc(CNc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline?
The InChIKey is OZDWFJZUYSTQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-4-5-12(8-15(10)16)17-9-13-7-14(19-3)6-11(2)18-13/h4-8,17H,9H2,1-3H3.
What are the key properties of 3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline?
3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline has a molecular weight of 276.77 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline is sourced from PubChem (CID 82893507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).