(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine

C18H24NO4P — CID 89463039

IUPAC(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine
SMILESCCOP(=O)(OCC)c1ccc(C(N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H24NO4P/c1-4-22-24(20,23-5-2)17-12-8-15(9-13-17)18(19)14-6-10-16(21-3)11-7-14/h6-13,18H,4-5,19H2,1-3H3
InChIKeyFUKVUMKTNXSJER-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.63
Rot. Bonds8

About (4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine

(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine (PubChem CID 89463039) has the molecular formula C18H24NO4P and a molecular weight of 349.37 g/mol. Its IUPAC name is (4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine
PubChem CID89463039
Molecular FormulaC18H24NO4P
Molecular Weight349.37 g/mol
Exact Mass349.14
IUPAC Name(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine
SMILESCCOP(=O)(OCC)c1ccc(C(N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H24NO4P/c1-4-22-24(20,23-5-2)17-12-8-15(9-13-17)18(19)14-6-10-16(21-3)11-7-14/h6-13,18H,4-5,19H2,1-3H3
InChIKeyFUKVUMKTNXSJER-UHFFFAOYSA-N
XLogP3.63
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine
CID 177387905
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
CID 115481951
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
CID 125466938
1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene
CID 90848416
1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 71606452
(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-diethoxyphosphoryl-2-(4-methoxyphenyl)ethanamine
CID 10993448
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
1-diethoxyphosphoryl-4-hydroxy-4-(4-methoxyphenyl)butan-2-one
CID 14340418
tris(4-diethoxyphosphorylphenyl)phosphane
CID 10675951
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735

Frequently Asked Questions

What is the IUPAC name of (4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine (CID 89463039) is (4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine is CCOP(=O)(OCC)c1ccc(C(N)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine?
The InChIKey is FUKVUMKTNXSJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO4P/c1-4-22-24(20,23-5-2)17-12-8-15(9-13-17)18(19)14-6-10-16(21-3)11-7-14/h6-13,18H,4-5,19H2,1-3H3.
What are the key properties of (4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine?
(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine has a molecular weight of 349.37 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 89463039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).