N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine

C24H44NO3P — CID 15389105

IUPACN-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine
SMILESCCCCC(CC)COP(=O)(CNCc1ccccc1)OCC(CC)CCCC
InChIInChI=1S/C24H44NO3P/c1-5-9-14-22(7-3)19-27-29(26,28-20-23(8-4)15-10-6-2)21-25-18-24-16-12-11-13-17-24/h11-13,16-17,22-23,25H,5-10,14-15,18-21H2,1-4H3
InChIKeyLVBQHEZTRANWSB-UHFFFAOYSA-N
MW425.59 g/mol
LogP7.39
Rot. Bonds18

About N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine

N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine (PubChem CID 15389105) has the molecular formula C24H44NO3P and a molecular weight of 425.59 g/mol. Its IUPAC name is N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine
PubChem CID15389105
Molecular FormulaC24H44NO3P
Molecular Weight425.59 g/mol
Exact Mass425.31
IUPAC NameN-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine
SMILESCCCCC(CC)COP(=O)(CNCc1ccccc1)OCC(CC)CCCC
InChIInChI=1S/C24H44NO3P/c1-5-9-14-22(7-3)19-27-29(26,28-20-23(8-4)15-10-6-2)21-25-18-24-16-12-11-13-17-24/h11-13,16-17,22-23,25H,5-10,14-15,18-21H2,1-4H3
InChIKeyLVBQHEZTRANWSB-UHFFFAOYSA-N
XLogP7.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.59
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[bis(2-ethylhexoxy)phosphoryl]propan-2-amine
CID 15389102
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
2-ethylhexoxy(phenyl)phosphinic acid
CID 14299722
2-ethylhexyl diphenyl phosphate;phosphoric acid
CID 172820434
[2-ethylhexoxy(tetradecyl)phosphoryl]benzene
CID 70125181
N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63491260
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane
CID 91716456
2-ethylpentyl N-benzylcarbamate
CID 58269941
2-ethylhexyl diphenyl phosphate;2-methylprop-2-enoic acid
CID 67913752
N-[[3-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490215

Frequently Asked Questions

What is the IUPAC name of N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine?
The IUPAC name of N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine (CID 15389105) is N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine.
What is the SMILES notation for N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine?
The canonical SMILES for N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine is CCCCC(CC)COP(=O)(CNCc1ccccc1)OCC(CC)CCCC.
What is the InChIKey of N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine?
The InChIKey is LVBQHEZTRANWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44NO3P/c1-5-9-14-22(7-3)19-27-29(26,28-20-23(8-4)15-10-6-2)21-25-18-24-16-12-11-13-17-24/h11-13,16-17,22-23,25H,5-10,14-15,18-21H2,1-4H3.
What are the key properties of N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine?
N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine has a molecular weight of 425.59 g/mol, XLogP of 7.39, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine is sourced from PubChem (CID 15389105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).