3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine

C15H20BrN — CID 106181318

IUPAC3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
SMILESCC(C)=CCNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C15H20BrN/c1-11(2)7-8-17-13-9-12(10-13)14-5-3-4-6-15(14)16/h3-7,12-13,17H,8-10H2,1-2H3
InChIKeyAKSOVBCDFDOLDV-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.25
Rot. Bonds4

About 3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine

3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine (PubChem CID 106181318) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
PubChem CID106181318
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
SMILESCC(C)=CCNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C15H20BrN/c1-11(2)7-8-17-13-9-12(10-13)14-5-3-4-6-15(14)16/h3-7,12-13,17H,8-10H2,1-2H3
InChIKeyAKSOVBCDFDOLDV-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
CID 102904692
3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 106121067
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
CID 113497556
3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine
CID 113478701
2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115356113
3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632723
3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634508
3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 43633182
3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide
CID 106172030
N-[3-[[3-(2-bromophenyl)cyclobutyl]amino]propyl]methanesulfonamide
CID 106333342

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine (CID 106181318) is 3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine is CC(C)=CCNC1CC(c2ccccc2Br)C1.
What is the InChIKey of 3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
The InChIKey is AKSOVBCDFDOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c1-11(2)7-8-17-13-9-12(10-13)14-5-3-4-6-15(14)16/h3-7,12-13,17H,8-10H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine has a molecular weight of 294.24 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine is sourced from PubChem (CID 106181318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).