3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline

C13H12Cl2N2O — CID 63993150

IUPAC3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H12Cl2N2O/c1-18-13-4-2-3-10(17-13)8-16-9-5-6-11(14)12(15)7-9/h2-7,16H,8H2,1H3
InChIKeyIECKZAVACKCAEE-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.01
Rot. Bonds4

About 3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline

3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline (PubChem CID 63993150) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
PubChem CID63993150
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H12Cl2N2O/c1-18-13-4-2-3-10(17-13)8-16-9-5-6-11(14)12(15)7-9/h2-7,16H,8H2,1H3
InChIKeyIECKZAVACKCAEE-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

3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347663
2-chloro-5-[(6-methoxy-2-pyridinyl)methylamino]-N-methylbenzamide
CID 103347678
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65026028
N-[(6-bromo-2-pyridinyl)methyl]-3-chloro-4-methoxyaniline
CID 112581707
2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103478301
2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 103347490
5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylaniline
CID 63993319
4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63985866
3,4-dichloro-N-[[2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methyl]aniline
CID 102206413
6-(2-methoxyethoxy)-N-[(6-methoxy-2-pyridinyl)methyl]pyridin-3-amine
CID 103347504
3-chloro-N-[[6-(difluoromethoxy)-2-pyridinyl]methyl]-4-fluoroaniline;hydrochloride
CID 171059560

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The IUPAC name of 3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline (CID 63993150) is 3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline is COc1cccc(CNc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The InChIKey is IECKZAVACKCAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-18-13-4-2-3-10(17-13)8-16-9-5-6-11(14)12(15)7-9/h2-7,16H,8H2,1H3.
What are the key properties of 3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline 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 3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 63993150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).