5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine

C16H19BrN2O — CID 115146592

IUPAC5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine
SMILESCOc1cc(C(C)C)ccc1N(C)c1ccc(Br)cn1
InChIInChI=1S/C16H19BrN2O/c1-11(2)12-5-7-14(15(9-12)20-4)19(3)16-8-6-13(17)10-18-16/h5-11H,1-4H3
InChIKeyHILONGOLISTFKW-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.74
Rot. Bonds4

About 5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine

5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine (PubChem CID 115146592) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine
PubChem CID115146592
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine
SMILESCOc1cc(C(C)C)ccc1N(C)c1ccc(Br)cn1
InChIInChI=1S/C16H19BrN2O/c1-11(2)12-5-7-14(15(9-12)20-4)19(3)16-8-6-13(17)10-18-16/h5-11H,1-4H3
InChIKeyHILONGOLISTFKW-UHFFFAOYSA-N
XLogP4.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine
CID 166807108
5-bromo-N-(1-methoxyethyl)-N-methylpyridin-2-amine
CID 174422412
N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine
CID 67761566
5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 55208018
5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
CID 115222785
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 98784055
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile
CID 115129156
4-bromo-1-[bromo-(4-propan-2-ylphenyl)methyl]-2-methoxybenzene
CID 115369884
N'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine
CID 115201118
5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine
CID 115146583

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine (CID 115146592) is 5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine is COc1cc(C(C)C)ccc1N(C)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine?
The InChIKey is HILONGOLISTFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11(2)12-5-7-14(15(9-12)20-4)19(3)16-8-6-13(17)10-18-16/h5-11H,1-4H3.
What are the key properties of 5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine?
5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 115146592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).