6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine

C16H19BrN2O2 — CID 104600023

IUPAC6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
SMILESCCOc1ccc(CNc2ccc(Br)nc2C)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-4-21-14-7-5-12(9-15(14)20-3)10-18-13-6-8-16(17)19-11(13)2/h5-9,18H,4,10H2,1-3H3
InChIKeyCZYFFEBBHRVDCS-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.17
Rot. Bonds6

About 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine

6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine (PubChem CID 104600023) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
PubChem CID104600023
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
SMILESCCOc1ccc(CNc2ccc(Br)nc2C)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-4-21-14-7-5-12(9-15(14)20-3)10-18-13-6-8-16(17)19-11(13)2/h5-9,18H,4,10H2,1-3H3
InChIKeyCZYFFEBBHRVDCS-UHFFFAOYSA-N
XLogP4.17
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 104600016
6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 114050710
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
CID 28890884
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 104599975
5-bromo-2-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]aniline
CID 63478094
5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 133373882
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
CID 900370
6-bromo-N-[(4-chlorophenyl)methyl]-2-methylpyridin-3-amine
CID 114050706

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine?
The IUPAC name of 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine (CID 104600023) is 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine?
The canonical SMILES for 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine is CCOc1ccc(CNc2ccc(Br)nc2C)cc1OC.
What is the InChIKey of 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine?
The InChIKey is CZYFFEBBHRVDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-4-21-14-7-5-12(9-15(14)20-3)10-18-13-6-8-16(17)19-11(13)2/h5-9,18H,4,10H2,1-3H3.
What are the key properties of 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine?
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine has a molecular weight of 351.24 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 104600023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).