3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine

C15H22BrN — CID 43632723

IUPAC3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
SMILESCCC(CC)NC1CC(c2ccccc2Br)C1
InChIInChI=1S/C15H22BrN/c1-3-12(4-2)17-13-9-11(10-13)14-7-5-6-8-15(14)16/h5-8,11-13,17H,3-4,9-10H2,1-2H3
InChIKeyHBGOGLUXEXQQMI-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.47
Rot. Bonds5

About 3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine

3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine (PubChem CID 43632723) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
PubChem CID43632723
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
SMILESCCC(CC)NC1CC(c2ccccc2Br)C1
InChIInChI=1S/C15H22BrN/c1-3-12(4-2)17-13-9-11(10-13)14-7-5-6-8-15(14)16/h5-8,11-13,17H,3-4,9-10H2,1-2H3
InChIKeyHBGOGLUXEXQQMI-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine
CID 63989921
3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine
CID 64629588
2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 43634759
1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
CID 113497556
2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634747
3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
CID 102904692
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634220
3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632713
N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline
CID 43633251

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine (CID 43632723) is 3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine is CCC(CC)NC1CC(c2ccccc2Br)C1.
What is the InChIKey of 3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine?
The InChIKey is HBGOGLUXEXQQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-3-12(4-2)17-13-9-11(10-13)14-7-5-6-8-15(14)16/h5-8,11-13,17H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine?
3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine is sourced from PubChem (CID 43632723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).