3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine

C16H22BrNO — CID 106704280

IUPAC3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine
SMILESC=CCCOCCNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C16H22BrNO/c1-2-3-8-19-9-7-18-16-11-14(12-16)13-5-4-6-15(17)10-13/h2,4-6,10,14,16,18H,1,3,7-9,11-12H2
InChIKeyZNQQIZUIQYYEHV-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.88
Rot. Bonds8

About 3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine

3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine (PubChem CID 106704280) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine
PubChem CID106704280
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine
SMILESC=CCCOCCNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C16H22BrNO/c1-2-3-8-19-9-7-18-16-11-14(12-16)13-5-4-6-15(17)10-13/h2,4-6,10,14,16,18H,1,3,7-9,11-12H2
InChIKeyZNQQIZUIQYYEHV-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
N-(2-but-3-enoxyethyl)-3-(4-chlorophenyl)cyclobutan-1-amine
CID 104530451
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634794
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
8-bromo-N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 103904976
ethyl 4-[[3-(3-bromophenyl)cyclobutyl]amino]butanoate
CID 64580836
3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 106704300
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
CID 63452022
3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
CID 106704291
3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol
CID 106704265

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine (CID 106704280) is 3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine is C=CCCOCCNC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine?
The InChIKey is ZNQQIZUIQYYEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-2-3-8-19-9-7-18-16-11-14(12-16)13-5-4-6-15(17)10-13/h2,4-6,10,14,16,18H,1,3,7-9,11-12H2.
What are the key properties of 3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine?
3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine has a molecular weight of 324.26 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine is sourced from PubChem (CID 106704280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).