8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine

C14H22NO2P — CID 15404022

IUPAC8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine
SMILESCc1cccc2c1OP(N(C(C)C)C(C)C)OC2
InChIInChI=1S/C14H22NO2P/c1-10(2)15(11(3)4)18-16-9-13-8-6-7-12(5)14(13)17-18/h6-8,10-11H,9H2,1-5H3
InChIKeyCHXAEQZAWMDHLL-UHFFFAOYSA-N
MW267.31 g/mol
LogP4.25
Rot. Bonds3

About 8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine

8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine (PubChem CID 15404022) has the molecular formula C14H22NO2P and a molecular weight of 267.31 g/mol. Its IUPAC name is 8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine.

Molecular Properties

Compound Name8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine
PubChem CID15404022
Molecular FormulaC14H22NO2P
Molecular Weight267.31 g/mol
Exact Mass267.14
IUPAC Name8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine
SMILESCc1cccc2c1OP(N(C(C)C)C(C)C)OC2
InChIInChI=1S/C14H22NO2P/c1-10(2)15(11(3)4)18-16-9-13-8-6-7-12(5)14(13)17-18/h6-8,10-11H,9H2,1-5H3
InChIKeyCHXAEQZAWMDHLL-UHFFFAOYSA-N
XLogP4.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine?
The IUPAC name of 8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine (CID 15404022) is 8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine.
What is the SMILES notation for 8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine?
The canonical SMILES for 8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine is Cc1cccc2c1OP(N(C(C)C)C(C)C)OC2.
What is the InChIKey of 8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine?
The InChIKey is CHXAEQZAWMDHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO2P/c1-10(2)15(11(3)4)18-16-9-13-8-6-7-12(5)14(13)17-18/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine?
8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine has a molecular weight of 267.31 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine is sourced from PubChem (CID 15404022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).