N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine

C14H25N2O3P — CID 4609833

IUPACN-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine
SMILESCCOP(=O)(CN(CC)CCc1ccncc1)OCC
InChIInChI=1S/C14H25N2O3P/c1-4-16(12-9-14-7-10-15-11-8-14)13-20(17,18-5-2)19-6-3/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyJAFTTWGCKWDIHM-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.17
Rot. Bonds10

About N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine

N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine (PubChem CID 4609833) has the molecular formula C14H25N2O3P and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine
PubChem CID4609833
Molecular FormulaC14H25N2O3P
Molecular Weight300.34 g/mol
Exact Mass300.16
IUPAC NameN-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine
SMILESCCOP(=O)(CN(CC)CCc1ccncc1)OCC
InChIInChI=1S/C14H25N2O3P/c1-4-16(12-9-14-7-10-15-11-8-14)13-20(17,18-5-2)19-6-3/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyJAFTTWGCKWDIHM-UHFFFAOYSA-N
XLogP3.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,2-diethyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 78896115
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113228898
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 63629114
2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 55207049
3-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid
CID 82183854
1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
CID 108989280
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999

Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine?
The IUPAC name of N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine (CID 4609833) is N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine is CCOP(=O)(CN(CC)CCc1ccncc1)OCC.
What is the InChIKey of N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine?
The InChIKey is JAFTTWGCKWDIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N2O3P/c1-4-16(12-9-14-7-10-15-11-8-14)13-20(17,18-5-2)19-6-3/h7-8,10-11H,4-6,9,12-13H2,1-3H3.
What are the key properties of N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine?
N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine has a molecular weight of 300.34 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)-N-ethyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 4609833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).