5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine

C15H16BrClN2O2 — CID 103580081

IUPAC5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
SMILESCOc1ccc(C(C)Nc2ncc(Br)cc2Cl)cc1OC
InChIInChI=1S/C15H16BrClN2O2/c1-9(19-15-12(17)7-11(16)8-18-15)10-4-5-13(20-2)14(6-10)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyOJXXCJNNNWBJNA-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.69
Rot. Bonds5

About 5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine

5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine (PubChem CID 103580081) has the molecular formula C15H16BrClN2O2 and a molecular weight of 371.66 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
PubChem CID103580081
Molecular FormulaC15H16BrClN2O2
Molecular Weight371.66 g/mol
Exact Mass370.01
IUPAC Name5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
SMILESCOc1ccc(C(C)Nc2ncc(Br)cc2Cl)cc1OC
InChIInChI=1S/C15H16BrClN2O2/c1-9(19-15-12(17)7-11(16)8-18-15)10-4-5-13(20-2)14(6-10)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyOJXXCJNNNWBJNA-UHFFFAOYSA-N
XLogP4.69
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 103582571
5-bromo-2-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 63478614
3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
CID 61374280
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925
5-bromo-N-but-3-yn-2-yl-3-chloropyridin-2-amine
CID 103582656
3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496
4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroaniline
CID 43774920
5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
5-bromo-3-chloro-N-(2-methoxyphenyl)pyridin-2-amine
CID 103583055
3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43107503

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine (CID 103580081) is 5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine is COc1ccc(C(C)Nc2ncc(Br)cc2Cl)cc1OC.
What is the InChIKey of 5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine?
The InChIKey is OJXXCJNNNWBJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O2/c1-9(19-15-12(17)7-11(16)8-18-15)10-4-5-13(20-2)14(6-10)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine?
5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine has a molecular weight of 371.66 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 103580081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).