2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine

C14H17Cl2N — CID 65003315

IUPAC2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine
SMILESNC1(c2c(Cl)cccc2Cl)CC2(CCCC2)C1
InChIInChI=1S/C14H17Cl2N/c15-10-4-3-5-11(16)12(10)14(17)8-13(9-14)6-1-2-7-13/h3-5H,1-2,6-9,17H2
InChIKeyXVSQHHFWAOSPHU-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.50
Rot. Bonds1

About 2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine

2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine (PubChem CID 65003315) has the molecular formula C14H17Cl2N and a molecular weight of 270.20 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine
PubChem CID65003315
Molecular FormulaC14H17Cl2N
Molecular Weight270.20 g/mol
Exact Mass269.07
IUPAC Name2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine
SMILESNC1(c2c(Cl)cccc2Cl)CC2(CCCC2)C1
InChIInChI=1S/C14H17Cl2N/c15-10-4-3-5-11(16)12(10)14(17)8-13(9-14)6-1-2-7-13/h3-5H,1-2,6-9,17H2
InChIKeyXVSQHHFWAOSPHU-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine?
The IUPAC name of 2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine (CID 65003315) is 2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine?
The canonical SMILES for 2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine is NC1(c2c(Cl)cccc2Cl)CC2(CCCC2)C1.
What is the InChIKey of 2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine?
The InChIKey is XVSQHHFWAOSPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N/c15-10-4-3-5-11(16)12(10)14(17)8-13(9-14)6-1-2-7-13/h3-5H,1-2,6-9,17H2.
What are the key properties of 2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine?
2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine has a molecular weight of 270.20 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)spiro[3.4]octan-2-amine is sourced from PubChem (CID 65003315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).