bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride

C15H21ClNO6P — CID 88640951

IUPACbis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride
SMILESCOc1ccccc1OP(=O)(CN)Oc1ccccc1OC.Cl.O
InChIInChI=1S/C15H18NO5P.ClH.H2O/c1-18-12-7-3-5-9-14(12)20-22(17,11-16)21-15-10-6-4-8-13(15)19-2;;/h3-10H,11,16H2,1-2H3;1H;1H2
InChIKeyGCNNBMGLKPNZRX-UHFFFAOYSA-N
MW377.76 g/mol
LogP2.87
Rot. Bonds7

About bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride

bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride (PubChem CID 88640951) has the molecular formula C15H21ClNO6P and a molecular weight of 377.76 g/mol. Its IUPAC name is bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride.

Molecular Properties

Compound Namebis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride
PubChem CID88640951
Molecular FormulaC15H21ClNO6P
Molecular Weight377.76 g/mol
Exact Mass377.08
IUPAC Namebis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride
SMILESCOc1ccccc1OP(=O)(CN)Oc1ccccc1OC.Cl.O
InChIInChI=1S/C15H18NO5P.ClH.H2O/c1-18-12-7-3-5-9-14(12)20-22(17,11-16)21-15-10-6-4-8-13(15)19-2;;/h3-10H,11,16H2,1-2H3;1H;1H2
InChIKeyGCNNBMGLKPNZRX-UHFFFAOYSA-N
XLogP2.87
TPSA111.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.76
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxybenzene;dihydrochloride
CID 19834650
chloro-(2-methoxyphenoxy)phosphinic acid
CID 88749959
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide
CID 86742078
1,2-dimethoxybenzene;propanal
CID 174258099
azane;1,2-dimethoxybenzene
CID 174437926
2-[bis(2-hydroxyethyl)amino]ethanol;bis(2-methoxyphenyl) hydrogen phosphate
CID 134108945
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
[2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate
CID 23585992
2-methoxyaniline;dihydrochloride
CID 69020746
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119294047
1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
CID 87155659

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride?
The IUPAC name of bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride (CID 88640951) is bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride.
What is the SMILES notation for bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride?
The canonical SMILES for bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride is COc1ccccc1OP(=O)(CN)Oc1ccccc1OC.Cl.O.
What is the InChIKey of bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride?
The InChIKey is GCNNBMGLKPNZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO5P.ClH.H2O/c1-18-12-7-3-5-9-14(12)20-22(17,11-16)21-15-10-6-4-8-13(15)19-2;;/h3-10H,11,16H2,1-2H3;1H;1H2.
What are the key properties of bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride?
bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride has a molecular weight of 377.76 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyphenoxy)phosphorylmethanamine;hydrate;hydrochloride is sourced from PubChem (CID 88640951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).