N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine

C16H17BrN2 — CID 79042350

IUPACN-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CC(c2ccccc2Br)C1
InChIInChI=1S/C16H17BrN2/c1-11-16(7-4-8-18-11)19-13-9-12(10-13)14-5-2-3-6-15(14)17/h2-8,12-13,19H,9-10H2,1H3
InChIKeyQJTVJPLDJQVNNU-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.51
Rot. Bonds3

About N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine

N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine (PubChem CID 79042350) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine
PubChem CID79042350
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC NameN-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CC(c2ccccc2Br)C1
InChIInChI=1S/C16H17BrN2/c1-11-16(7-4-8-18-11)19-13-9-12(10-13)14-5-2-3-6-15(14)17/h2-8,12-13,19H,9-10H2,1H3
InChIKeyQJTVJPLDJQVNNU-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine?
The IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine (CID 79042350) is N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine.
What is the SMILES notation for N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine?
The canonical SMILES for N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine is Cc1ncccc1NC1CC(c2ccccc2Br)C1.
What is the InChIKey of N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine?
The InChIKey is QJTVJPLDJQVNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-11-16(7-4-8-18-11)19-13-9-12(10-13)14-5-2-3-6-15(14)17/h2-8,12-13,19H,9-10H2,1H3.
What are the key properties of N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine?
N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine has a molecular weight of 317.23 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 79042350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).