2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline

C16H19ClN2O — CID 107634838

IUPAC2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
SMILESCOc1c(C)cnc(CNc2cc(C)ccc2Cl)c1C
InChIInChI=1S/C16H19ClN2O/c1-10-5-6-13(17)14(7-10)19-9-15-12(3)16(20-4)11(2)8-18-15/h5-8,19H,9H2,1-4H3
InChIKeyPHSUBUAKJVOWGT-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.28
Rot. Bonds4

About 2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline

2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline (PubChem CID 107634838) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
PubChem CID107634838
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
SMILESCOc1c(C)cnc(CNc2cc(C)ccc2Cl)c1C
InChIInChI=1S/C16H19ClN2O/c1-10-5-6-13(17)14(7-10)19-9-15-12(3)16(20-4)11(2)8-18-15/h5-8,19H,9H2,1-4H3
InChIKeyPHSUBUAKJVOWGT-UHFFFAOYSA-N
XLogP4.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
CID 82756625
4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylaniline
CID 28584179
3-chloro-4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 83108940
2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline
CID 107631263
2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 28992033
4-(2-chloroethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 65024346
2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 28584402
2-chloro-N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-5-fluoroaniline
CID 107528234
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylsulfanylaniline
CID 28568369
2-chloro-N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-4-methylaniline
CID 103185493
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline?
The IUPAC name of 2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline (CID 107634838) is 2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline?
The canonical SMILES for 2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline is COc1c(C)cnc(CNc2cc(C)ccc2Cl)c1C.
What is the InChIKey of 2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline?
The InChIKey is PHSUBUAKJVOWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10-5-6-13(17)14(7-10)19-9-15-12(3)16(20-4)11(2)8-18-15/h5-8,19H,9H2,1-4H3.
What are the key properties of 2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline?
2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline has a molecular weight of 290.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline is sourced from PubChem (CID 107634838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).