3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

C13H12Cl2N2O — CID 29285859

IUPAC3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O/c1-18-11-4-2-9(3-5-11)7-16-13-12(15)6-10(14)8-17-13/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyJFMLKFGLKFSKMD-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.01
Rot. Bonds4

About 3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 29285859) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID29285859
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O/c1-18-11-4-2-9(3-5-11)7-16-13-12(15)6-10(14)8-17-13/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyJFMLKFGLKFSKMD-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine
CID 58268233
5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 134419132
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496
6-chloro-8-fluoro-N-[(4-methoxyphenyl)methyl]phthalazin-1-amine
CID 168957431
3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610909
1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106486635
5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 90902051
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine
CID 63541171
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78878862
5-chloro-N-[(4-methoxyphenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62172418

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (CID 29285859) is 3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CNc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is JFMLKFGLKFSKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-18-11-4-2-9(3-5-11)7-16-13-12(15)6-10(14)8-17-13/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of 3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 283.16 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 29285859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).