N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine

C14H20BrNO — CID 79915649

IUPACN-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(Nc2ccccc2Br)C(C)(C)O1
InChIInChI=1S/C14H20BrNO/c1-13(2)9-12(14(3,4)17-13)16-11-8-6-5-7-10(11)15/h5-8,12,16H,9H2,1-4H3
InChIKeyDDOQNXFACRUZOS-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.21
Rot. Bonds2

About N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79915649) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79915649
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(Nc2ccccc2Br)C(C)(C)O1
InChIInChI=1S/C14H20BrNO/c1-13(2)9-12(14(3,4)17-13)16-11-8-6-5-7-10(11)15/h5-8,12,16H,9H2,1-4H3
InChIKeyDDOQNXFACRUZOS-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 79915649) is N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)CC(Nc2ccccc2Br)C(C)(C)O1.
What is the InChIKey of N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is DDOQNXFACRUZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-13(2)9-12(14(3,4)17-13)16-11-8-6-5-7-10(11)15/h5-8,12,16H,9H2,1-4H3.
What are the key properties of N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 298.22 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79915649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).