3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine

C16H18BrNO — CID 43635490

IUPAC3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine
SMILESBrc1ccccc1C1CC(NCCc2ccco2)C1
InChIInChI=1S/C16H18BrNO/c17-16-6-2-1-5-15(16)12-10-13(11-12)18-8-7-14-4-3-9-19-14/h1-6,9,12-13,18H,7-8,10-11H2
InChIKeyVDSVTLHGGXKBGX-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.12
Rot. Bonds5

About 3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine

3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 43635490) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine
PubChem CID43635490
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine
SMILESBrc1ccccc1C1CC(NCCc2ccco2)C1
InChIInChI=1S/C16H18BrNO/c17-16-6-2-1-5-15(16)12-10-13(11-12)18-8-7-14-4-3-9-19-14/h1-6,9,12-13,18H,7-8,10-11H2
InChIKeyVDSVTLHGGXKBGX-UHFFFAOYSA-N
XLogP4.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635483
3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43633671
3-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 43633263
3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 106042332
N-[2-(furan-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104870790
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 43395503
3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516190
3-(2-bromophenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82940585
3-N-[2-(furan-2-yl)ethyl]cyclopentane-1,3-diamine
CID 79462115
3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine
CID 106009029
1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
CID 113497556

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine (CID 43635490) is 3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine is Brc1ccccc1C1CC(NCCc2ccco2)C1.
What is the InChIKey of 3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is VDSVTLHGGXKBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c17-16-6-2-1-5-15(16)12-10-13(11-12)18-8-7-14-4-3-9-19-14/h1-6,9,12-13,18H,7-8,10-11H2.
What are the key properties of 3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine?
3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 43635490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).