N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine

C10H16N3O4P — CID 71137275

IUPACN-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine
SMILESCCN(C)P(N)(=O)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H16N3O4P/c1-3-12(2)18(11,16)17-8-9-4-6-10(7-5-9)13(14)15/h4-7H,3,8H2,1-2H3,(H2,11,16)
InChIKeyLKJRHOANXLMSNZ-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.13
Rot. Bonds6

About N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine

N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine (PubChem CID 71137275) has the molecular formula C10H16N3O4P and a molecular weight of 273.23 g/mol. Its IUPAC name is N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine.

Molecular Properties

Compound NameN-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine
PubChem CID71137275
Molecular FormulaC10H16N3O4P
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC NameN-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine
SMILESCCN(C)P(N)(=O)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H16N3O4P/c1-3-12(2)18(11,16)17-8-9-4-6-10(7-5-9)13(14)15/h4-7H,3,8H2,1-2H3,(H2,11,16)
InChIKeyLKJRHOANXLMSNZ-UHFFFAOYSA-N
XLogP2.13
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[[diethylamino-[(4-nitrophenyl)methoxy]phosphoryl]methyl-[(4-nitrophenyl)methoxy]phosphoryl]-N-ethylethanamine
CID 88888642
dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane
CID 57011547
methyl bis[(4-nitrophenyl)methoxy]phosphorylformate
CID 15680413
4-chloro-N-[[dichloro-[[4-chlorobutyl(methyl)amino]-[(4-nitrophenyl)methoxy]phosphoryl]methyl]-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylbutan-1-amine
CID 54587972
N,N-diethylethanamine;(4-nitrophenyl)methyl 2-oxoacetate;hydrate
CID 88663538
1-(ethoxymethyl)-4-nitrobenzene;N-methylmethanamine
CID 70210038
azane;1-ethyl-4-nitrobenzene
CID 19043225
dibenzyl 2-(4-nitrophenyl)ethyl phosphate
CID 141046350
methyl N-methyl-N-[(4-nitrophenyl)methoxy]carbamodithioate
CID 86060997
1-nitro-4-(phosphorosooxymethyl)benzene
CID 58371231
benzyl N-[bis[(4-nitrophenyl)methoxy]phosphorylmethyl]carbamate
CID 14250016
(9H-fluoren-9-ylmethoxycarbonylamino)methyl-[(4-nitrophenyl)methoxy]phosphinic acid
CID 15339931

Frequently Asked Questions

What is the IUPAC name of N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine?
The IUPAC name of N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine (CID 71137275) is N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine.
What is the SMILES notation for N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine?
The canonical SMILES for N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine is CCN(C)P(N)(=O)OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine?
The InChIKey is LKJRHOANXLMSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3O4P/c1-3-12(2)18(11,16)17-8-9-4-6-10(7-5-9)13(14)15/h4-7H,3,8H2,1-2H3,(H2,11,16).
What are the key properties of N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine?
N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine has a molecular weight of 273.23 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine is sourced from PubChem (CID 71137275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).