3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine

C16H19BrN2O2 — CID 105366661

IUPAC3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
SMILESCOc1ccc(CCNc2ncc(C)cc2Br)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-11-8-13(17)16(19-10-11)18-7-6-12-4-5-14(20-2)15(9-12)21-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,19)
InChIKeyHHKTWDPOTUEXSF-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.82
Rot. Bonds6

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

3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine (PubChem CID 105366661) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
PubChem CID105366661
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
SMILESCOc1ccc(CCNc2ncc(C)cc2Br)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-11-8-13(17)16(19-10-11)18-7-6-12-4-5-14(20-2)15(9-12)21-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,19)
InChIKeyHHKTWDPOTUEXSF-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine
CID 79530686
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
CID 63874532
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
CID 62253339
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541698
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride
CID 71627680
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862476
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
2,6-dibromo-N-[(3,4-dimethoxyphenyl)methyl]-4-methylaniline
CID 28984269
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine (CID 105366661) is 3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine is COc1ccc(CCNc2ncc(C)cc2Br)cc1OC.
What is the InChIKey of 3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine?
The InChIKey is HHKTWDPOTUEXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11-8-13(17)16(19-10-11)18-7-6-12-4-5-14(20-2)15(9-12)21-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine?
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine has a molecular weight of 351.24 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 105366661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).