N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine

C13H16BrNO — CID 84596566

IUPACN-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine
SMILESBrc1ccc(C2(NC3CCOC3)CC2)cc1
InChIInChI=1S/C13H16BrNO/c14-11-3-1-10(2-4-11)13(6-7-13)15-12-5-8-16-9-12/h1-4,12,15H,5-9H2
InChIKeyLWZRBWDPRYMZOI-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.82
Rot. Bonds3

About N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine

N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine (PubChem CID 84596566) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine
PubChem CID84596566
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC NameN-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine
SMILESBrc1ccc(C2(NC3CCOC3)CC2)cc1
InChIInChI=1S/C13H16BrNO/c14-11-3-1-10(2-4-11)13(6-7-13)15-12-5-8-16-9-12/h1-4,12,15H,5-9H2
InChIKeyLWZRBWDPRYMZOI-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine?
The IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine (CID 84596566) is N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine?
The canonical SMILES for N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine is Brc1ccc(C2(NC3CCOC3)CC2)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine?
The InChIKey is LWZRBWDPRYMZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-11-3-1-10(2-4-11)13(6-7-13)15-12-5-8-16-9-12/h1-4,12,15H,5-9H2.
What are the key properties of N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine?
N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine has a molecular weight of 282.18 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine is sourced from PubChem (CID 84596566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).