5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine

C15H17BrN2O — CID 115146583

IUPAC5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine
SMILESCC(C)Oc1ccc(N(C)c2ccc(Br)cn2)cc1
InChIInChI=1S/C15H17BrN2O/c1-11(2)19-14-7-5-13(6-8-14)18(3)15-9-4-12(16)10-17-15/h4-11H,1-3H3
InChIKeyTUHZSGCXXBNJNX-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.40
Rot. Bonds4

About 5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine

5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine (PubChem CID 115146583) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine
PubChem CID115146583
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine
SMILESCC(C)Oc1ccc(N(C)c2ccc(Br)cn2)cc1
InChIInChI=1S/C15H17BrN2O/c1-11(2)19-14-7-5-13(6-8-14)18(3)15-9-4-12(16)10-17-15/h4-11H,1-3H3
InChIKeyTUHZSGCXXBNJNX-UHFFFAOYSA-N
XLogP4.40
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 104801686
6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323
5-bromo-N-(1-methoxyethyl)-N-methylpyridin-2-amine
CID 174422412
5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714
5-bromo-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63463815
5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 55208018
1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene
CID 137385958
5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 61373581
5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine
CID 115146592
5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine
CID 115147054

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine (CID 115146583) is 5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine is CC(C)Oc1ccc(N(C)c2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine?
The InChIKey is TUHZSGCXXBNJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11(2)19-14-7-5-13(6-8-14)18(3)15-9-4-12(16)10-17-15/h4-11H,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine?
5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine is sourced from PubChem (CID 115146583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).