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

C15H17BrN2O2 — CID 61374280

IUPAC3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
SMILESCOc1ccc(C(C)Nc2ncccc2Br)cc1OC
InChIInChI=1S/C15H17BrN2O2/c1-10(18-15-12(16)5-4-8-17-15)11-6-7-13(19-2)14(9-11)20-3/h4-10H,1-3H3,(H,17,18)
InChIKeyRRCRJGYDTGEGFT-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.03
Rot. Bonds5

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

3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine (PubChem CID 61374280) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
PubChem CID61374280
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
SMILESCOc1ccc(C(C)Nc2ncccc2Br)cc1OC
InChIInChI=1S/C15H17BrN2O2/c1-10(18-15-12(16)5-4-8-17-15)11-6-7-13(19-2)14(9-11)20-3/h4-10H,1-3H3,(H,17,18)
InChIKeyRRCRJGYDTGEGFT-UHFFFAOYSA-N
XLogP4.03
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
CID 103580081
3-bromo-N-(1-thiophen-3-ylethyl)pyridin-2-amine
CID 62840685
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
N-[1-(4-ethylphenyl)ethyl]-3-methoxypyridin-2-amine
CID 115923091
2-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-fluoroaniline
CID 107633267
3-bromo-N-butan-2-ylpyridin-2-amine
CID 61374838
N-but-3-yn-2-yl-3-methoxypyridin-2-amine
CID 114418045
N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
CID 43756086
1-[3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-methoxyphenyl]-N-methylethanamine
CID 64631451
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 171697744
1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305921
N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide
CID 115923081

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine (CID 61374280) is 3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine is COc1ccc(C(C)Nc2ncccc2Br)cc1OC.
What is the InChIKey of 3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine?
The InChIKey is RRCRJGYDTGEGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(18-15-12(16)5-4-8-17-15)11-6-7-13(19-2)14(9-11)20-3/h4-10H,1-3H3,(H,17,18).
What are the key properties of 3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine?
3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine has a molecular weight of 337.22 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 61374280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).