N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine

C14H17N2O2P — CID 752273

IUPACN-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine
SMILESCc1cc(C)cc(OP(C)(=O)Nc2ccccn2)c1
InChIInChI=1S/C14H17N2O2P/c1-11-8-12(2)10-13(9-11)18-19(3,17)16-14-6-4-5-7-15-14/h4-10H,1-3H3,(H,15,16,17)
InChIKeyVTRLEVWNCRCQLD-UHFFFAOYSA-N
MW276.28 g/mol
LogP4.01
Rot. Bonds4

About N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine

N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine (PubChem CID 752273) has the molecular formula C14H17N2O2P and a molecular weight of 276.28 g/mol. Its IUPAC name is N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine
PubChem CID752273
Molecular FormulaC14H17N2O2P
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC NameN-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine
SMILESCc1cc(C)cc(OP(C)(=O)Nc2ccccn2)c1
InChIInChI=1S/C14H17N2O2P/c1-11-8-12(2)10-13(9-11)18-19(3,17)16-14-6-4-5-7-15-14/h4-10H,1-3H3,(H,15,16,17)
InChIKeyVTRLEVWNCRCQLD-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
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 N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine?
The IUPAC name of N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine (CID 752273) is N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine.
What is the SMILES notation for N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine?
The canonical SMILES for N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine is Cc1cc(C)cc(OP(C)(=O)Nc2ccccn2)c1.
What is the InChIKey of N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine?
The InChIKey is VTRLEVWNCRCQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2O2P/c1-11-8-12(2)10-13(9-11)18-19(3,17)16-14-6-4-5-7-15-14/h4-10H,1-3H3,(H,15,16,17).
What are the key properties of N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine?
N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine has a molecular weight of 276.28 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenoxy)-methylphosphoryl]pyridin-2-amine is sourced from PubChem (CID 752273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).