N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine

C18H17N2O4P — CID 144592421

IUPACN-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine
SMILESCN(C)P(Oc1ccc([N+](=O)[O-])cc1)Oc1cccc2ccccc12
InChIInChI=1S/C18H17N2O4P/c1-19(2)25(23-16-12-10-15(11-13-16)20(21)22)24-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3
InChIKeyUXPRDZXQYPLRTP-UHFFFAOYSA-N
MW356.32 g/mol
LogP4.99
Rot. Bonds6

About N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine

N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine (PubChem CID 144592421) has the molecular formula C18H17N2O4P and a molecular weight of 356.32 g/mol. Its IUPAC name is N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine
PubChem CID144592421
Molecular FormulaC18H17N2O4P
Molecular Weight356.32 g/mol
Exact Mass356.09
IUPAC NameN-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine
SMILESCN(C)P(Oc1ccc([N+](=O)[O-])cc1)Oc1cccc2ccccc12
InChIInChI=1S/C18H17N2O4P/c1-19(2)25(23-16-12-10-15(11-13-16)20(21)22)24-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3
InChIKeyUXPRDZXQYPLRTP-UHFFFAOYSA-N
XLogP4.99
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-[chloro-(4-nitrophenoxy)phosphoryl]oxynaphthalene;ethane
CID 144762749
N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine
CID 11002610
1-(2-methyl-4-nitrophenoxy)naphthalene
CID 13245951
1,6-bis(4-nitrophenoxy)naphthalene
CID 54368809
[naphthalen-1-yloxy-(4-nitrophenoxy)phosphoryl] (2S)-2-aminopropanoate
CID 175165447
N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide
CID 19174635
2-naphthalen-1-yloxy-5-nitroaniline
CID 62508135
(2-methyl-4-nitrophenyl) naphthalen-1-yl carbonate
CID 174691673
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine
CID 159017277
N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 11047092
N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
CID 38741242
[methyl-(2-naphthalen-1-ylacetyl)amino] 4-nitrobenzoate
CID 10522777

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine?
The IUPAC name of N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine (CID 144592421) is N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine.
What is the SMILES notation for N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine?
The canonical SMILES for N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine is CN(C)P(Oc1ccc([N+](=O)[O-])cc1)Oc1cccc2ccccc12.
What is the InChIKey of N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine?
The InChIKey is UXPRDZXQYPLRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2O4P/c1-19(2)25(23-16-12-10-15(11-13-16)20(21)22)24-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3.
What are the key properties of N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine?
N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine has a molecular weight of 356.32 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine is sourced from PubChem (CID 144592421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).