N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine

C14H18BrNO — CID 80717711

IUPACN-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine
SMILESBrc1cccc(C2CC(NC3CCOC3)C2)c1
InChIInChI=1S/C14H18BrNO/c15-12-3-1-2-10(6-12)11-7-14(8-11)16-13-4-5-17-9-13/h1-3,6,11,13-14,16H,4-5,7-9H2
InChIKeyAVDREKPPSGZDKT-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.07
Rot. Bonds3

About N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine

N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine (PubChem CID 80717711) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine
PubChem CID80717711
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine
SMILESBrc1cccc(C2CC(NC3CCOC3)C2)c1
InChIInChI=1S/C14H18BrNO/c15-12-3-1-2-10(6-12)11-7-14(8-11)16-13-4-5-17-9-13/h1-3,6,11,13-14,16H,4-5,7-9H2
InChIKeyAVDREKPPSGZDKT-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)oxolane
CID 66521315
3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 106704300
1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone
CID 43746005
N-[3-(3-bromophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715267
3-(3-bromophenyl)-N-(3-ethoxycyclobutyl)cyclobutan-1-amine
CID 106704309
N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine
CID 43634693
N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline
CID 43633558
N-[3-(3-bromophenyl)cyclobutyl]-2,6-dichloro-4-fluoroaniline
CID 83078045
2-bromo-N-[3-(3-bromophenyl)cyclobutyl]-5-fluoroaniline
CID 107632699
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
CID 63452022
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
N-(3-bromophenyl)oxan-4-amine
CID 43608425

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine?
The IUPAC name of N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine (CID 80717711) is N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine.
What is the SMILES notation for N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine?
The canonical SMILES for N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine is Brc1cccc(C2CC(NC3CCOC3)C2)c1.
What is the InChIKey of N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine?
The InChIKey is AVDREKPPSGZDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-12-3-1-2-10(6-12)11-7-14(8-11)16-13-4-5-17-9-13/h1-3,6,11,13-14,16H,4-5,7-9H2.
What are the key properties of N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine?
N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine has a molecular weight of 296.21 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine is sourced from PubChem (CID 80717711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).