N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine

C27H42NO2P — CID 89356601

IUPACN-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
SMILESCCC(C)(Pc1c(C)cccc1CN(C(C)C)C(C)C)c1cccc(C)c1OCOC
InChIInChI=1S/C27H42NO2P/c1-10-27(8,24-16-12-13-21(6)25(24)30-18-29-9)31-26-22(7)14-11-15-23(26)17-28(19(2)3)20(4)5/h11-16,19-20,31H,10,17-18H2,1-9H3
InChIKeyANHBSPDMCLKJHP-UHFFFAOYSA-N
MW443.61 g/mol
LogP6.53
Rot. Bonds11

About N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine

N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 89356601) has the molecular formula C27H42NO2P and a molecular weight of 443.61 g/mol. Its IUPAC name is N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
PubChem CID89356601
Molecular FormulaC27H42NO2P
Molecular Weight443.61 g/mol
Exact Mass443.30
IUPAC NameN-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
SMILESCCC(C)(Pc1c(C)cccc1CN(C(C)C)C(C)C)c1cccc(C)c1OCOC
InChIInChI=1S/C27H42NO2P/c1-10-27(8,24-16-12-13-21(6)25(24)30-18-29-9)31-26-22(7)14-11-15-23(26)17-28(19(2)3)20(4)5/h11-16,19-20,31H,10,17-18H2,1-9H3
InChIKeyANHBSPDMCLKJHP-UHFFFAOYSA-N
XLogP6.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.61
LogP ≤ 56.53
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine (CID 89356601) is N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine is CCC(C)(Pc1c(C)cccc1CN(C(C)C)C(C)C)c1cccc(C)c1OCOC.
What is the InChIKey of N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ANHBSPDMCLKJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42NO2P/c1-10-27(8,24-16-12-13-21(6)25(24)30-18-29-9)31-26-22(7)14-11-15-23(26)17-28(19(2)3)20(4)5/h11-16,19-20,31H,10,17-18H2,1-9H3.
What are the key properties of N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine?
N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 443.61 g/mol, XLogP of 6.53, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 89356601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).