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

C14H14BrClN2O — CID 103582571

IUPAC5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
SMILESCOc1ccc(C(C)Nc2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C14H14BrClN2O/c1-9(10-3-5-12(19-2)6-4-10)18-14-13(16)7-11(15)8-17-14/h3-9H,1-2H3,(H,17,18)
InChIKeyVVNKZAHASCLQKU-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.68
Rot. Bonds4

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

5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine (PubChem CID 103582571) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
PubChem CID103582571
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
SMILESCOc1ccc(C(C)Nc2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C14H14BrClN2O/c1-9(10-3-5-12(19-2)6-4-10)18-14-13(16)7-11(15)8-17-14/h3-9H,1-2H3,(H,17,18)
InChIKeyVVNKZAHASCLQKU-UHFFFAOYSA-N
XLogP4.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496
5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
CID 103580081
2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021
N-[1-(4-bromophenyl)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80758542
5-bromo-N-but-3-yn-2-yl-3-chloropyridin-2-amine
CID 103582656
N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
CID 55193327
6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine
CID 114051592
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 15916528
5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
CID 103584101
3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 43395999
5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718989
5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine
CID 103580433

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine (CID 103582571) is 5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine is COc1ccc(C(C)Nc2ncc(Br)cc2Cl)cc1.
What is the InChIKey of 5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine?
The InChIKey is VVNKZAHASCLQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-9(10-3-5-12(19-2)6-4-10)18-14-13(16)7-11(15)8-17-14/h3-9H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine?
5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine has a molecular weight of 341.64 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 103582571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).