4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine

C15H19N2OP — CID 166321015

IUPAC4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine
SMILESCc1cccc(CNc2cc(P(C)(C)=O)ccn2)c1
InChIInChI=1S/C15H19N2OP/c1-12-5-4-6-13(9-12)11-17-15-10-14(7-8-16-15)19(2,3)18/h4-10H,11H2,1-3H3,(H,16,17)
InChIKeyXQPMSXVCAHSRRO-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.25
Rot. Bonds4

About 4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine

4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine (PubChem CID 166321015) has the molecular formula C15H19N2OP and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine
PubChem CID166321015
Molecular FormulaC15H19N2OP
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine
SMILESCc1cccc(CNc2cc(P(C)(C)=O)ccn2)c1
InChIInChI=1S/C15H19N2OP/c1-12-5-4-6-13(9-12)11-17-15-10-14(7-8-16-15)19(2,3)18/h4-10H,11H2,1-3H3,(H,16,17)
InChIKeyXQPMSXVCAHSRRO-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 53414444
3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
CID 82674382
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859062
2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890009
4-N-[(3-methylphenyl)methyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882676
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169864
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
6-N-[(3-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265810
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549

Frequently Asked Questions

What is the IUPAC name of 4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine (CID 166321015) is 4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine is Cc1cccc(CNc2cc(P(C)(C)=O)ccn2)c1.
What is the InChIKey of 4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is XQPMSXVCAHSRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N2OP/c1-12-5-4-6-13(9-12)11-17-15-10-14(7-8-16-15)19(2,3)18/h4-10H,11H2,1-3H3,(H,16,17).
What are the key properties of 4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine?
4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 274.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 166321015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).