5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine

C16H19BrN2O — CID 115146824

IUPAC5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine
SMILESCOc1cc(C)c(C)cc1CCNc1ccc(Br)cn1
InChIInChI=1S/C16H19BrN2O/c1-11-8-13(15(20-3)9-12(11)2)6-7-18-16-5-4-14(17)10-19-16/h4-5,8-10H,6-7H2,1-3H3,(H,18,19)
InChIKeyNYDYBWZDQBLBSZ-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.12
Rot. Bonds5

About 5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine

5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine (PubChem CID 115146824) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine
PubChem CID115146824
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine
SMILESCOc1cc(C)c(C)cc1CCNc1ccc(Br)cn1
InChIInChI=1S/C16H19BrN2O/c1-11-8-13(15(20-3)9-12(11)2)6-7-18-16-5-4-14(17)10-19-16/h4-5,8-10H,6-7H2,1-3H3,(H,18,19)
InChIKeyNYDYBWZDQBLBSZ-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
CID 115146811
5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146816
5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 115146650
5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
CID 115148643
5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
CID 86054296
5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine
CID 115146686
5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
CID 75372885
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 27818248
5-bromo-N-(3-ethyl-4-methoxyphenyl)pyridin-2-amine
CID 115146469
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 60904047
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine (CID 115146824) is 5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine is COc1cc(C)c(C)cc1CCNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine?
The InChIKey is NYDYBWZDQBLBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11-8-13(15(20-3)9-12(11)2)6-7-18-16-5-4-14(17)10-19-16/h4-5,8-10H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine?
5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 115146824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).