3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine

C13H16BrN — CID 43632521

IUPAC3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
SMILESC=CCNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C13H16BrN/c1-2-6-15-13-8-11(9-13)10-4-3-5-12(14)7-10/h2-5,7,11,13,15H,1,6,8-9H2
InChIKeyPTONRZWGIYCISO-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.47
Rot. Bonds4

About 3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine

3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine (PubChem CID 43632521) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
PubChem CID43632521
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
SMILESC=CCNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C13H16BrN/c1-2-6-15-13-8-11(9-13)10-4-3-5-12(14)7-10/h2-5,7,11,13,15H,1,6,8-9H2
InChIKeyPTONRZWGIYCISO-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.47
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-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine
CID 106704280
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
CID 63452022
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63821467
3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol
CID 106704265
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine
CID 62223797
3-(3-bromophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 65246365
1-bromo-3-(4-prop-2-enylcyclohexyl)benzene
CID 69372307
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115355958
3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634794

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine (CID 43632521) is 3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine is C=CCNC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine?
The InChIKey is PTONRZWGIYCISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c1-2-6-15-13-8-11(9-13)10-4-3-5-12(14)7-10/h2-5,7,11,13,15H,1,6,8-9H2.
What are the key properties of 3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine?
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine has a molecular weight of 266.18 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine is sourced from PubChem (CID 43632521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).