1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine

C21H30NO2P — CID 89214490

IUPAC1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine
SMILESCCC(C)(Pc1ccccc1CN(C)C)c1ccccc1OCOC
InChIInChI=1S/C21H30NO2P/c1-6-21(2,18-12-8-9-13-19(18)24-16-23-5)25-20-14-10-7-11-17(20)15-22(3)4/h7-14,25H,6,15-16H2,1-5H3
InChIKeySSORACVOZXSJQI-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.36
Rot. Bonds9

About 1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine

1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 89214490) has the molecular formula C21H30NO2P and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine
PubChem CID89214490
Molecular FormulaC21H30NO2P
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine
SMILESCCC(C)(Pc1ccccc1CN(C)C)c1ccccc1OCOC
InChIInChI=1S/C21H30NO2P/c1-6-21(2,18-12-8-9-13-19(18)24-16-23-5)25-20-14-10-7-11-17(20)15-22(3)4/h7-14,25H,6,15-16H2,1-5H3
InChIKeySSORACVOZXSJQI-UHFFFAOYSA-N
XLogP4.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane
CID 89214352
1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone
CID 71040189
N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 89356601
1-[2-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 89214597
1-[2-[2-[3-benzyl-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
CID 89214594
1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
CID 21304895
chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane
CID 88969094
2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane
CID 88987772
2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol
CID 71039887
1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]ethanol
CID 89214631
(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 71040209
1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol
CID 89214388

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine (CID 89214490) is 1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine is CCC(C)(Pc1ccccc1CN(C)C)c1ccccc1OCOC.
What is the InChIKey of 1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is SSORACVOZXSJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30NO2P/c1-6-21(2,18-12-8-9-13-19(18)24-16-23-5)25-20-14-10-7-11-17(20)15-22(3)4/h7-14,25H,6,15-16H2,1-5H3.
What are the key properties of 1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine?
1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 359.45 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 89214490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).