bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine

C16H28NO4P — CID 102572312

IUPACbis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)P(=O)(OCC(C)C)OCC(C)C)cc1
InChIInChI=1S/C16H28NO4P/c1-12(2)10-20-22(18,21-11-13(3)4)16(17)14-6-8-15(19-5)9-7-14/h6-9,12-13,16H,10-11,17H2,1-5H3
InChIKeyCTDVMDKIYLKYEN-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.19
Rot. Bonds9

About bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine

bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine (PubChem CID 102572312) has the molecular formula C16H28NO4P and a molecular weight of 329.38 g/mol. Its IUPAC name is bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Namebis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine
PubChem CID102572312
Molecular FormulaC16H28NO4P
Molecular Weight329.38 g/mol
Exact Mass329.18
IUPAC Namebis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)P(=O)(OCC(C)C)OCC(C)C)cc1
InChIInChI=1S/C16H28NO4P/c1-12(2)10-20-22(18,21-11-13(3)4)16(17)14-6-8-15(19-5)9-7-14/h6-9,12-13,16H,10-11,17H2,1-5H3
InChIKeyCTDVMDKIYLKYEN-UHFFFAOYSA-N
XLogP4.19
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.19
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

(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine
CID 171191723
[4-[(R)-amino(diethoxyphosphoryl)methyl]phenyl] acetate
CID 171192289
(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine
CID 171192082
(S)-diethoxyphosphoryl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171191830
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
3-amino-1-(4-methoxyphenyl)butan-1-ol
CID 81462602
(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine
CID 89463039
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
CID 125466938
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
4,4-bis(4-methoxyphenyl)butan-2-amine
CID 12821400

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine?
The IUPAC name of bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine (CID 102572312) is bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine.
What is the SMILES notation for bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine?
The canonical SMILES for bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine is COc1ccc(C(N)P(=O)(OCC(C)C)OCC(C)C)cc1.
What is the InChIKey of bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine?
The InChIKey is CTDVMDKIYLKYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28NO4P/c1-12(2)10-20-22(18,21-11-13(3)4)16(17)14-6-8-15(19-5)9-7-14/h6-9,12-13,16H,10-11,17H2,1-5H3.
What are the key properties of bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine?
bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine has a molecular weight of 329.38 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 102572312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).