1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine

C29H38NO2P — CID 71191834

IUPAC1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
SMILESCCCC(C)(Pc1ccc(C)cc1CN(C)C)c1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C29H38NO2P/c1-7-17-29(3,33-28-16-13-22(2)18-24(28)20-30(4)5)26-19-25(31-6)14-15-27(26)32-21-23-11-9-8-10-12-23/h8-16,18-19,33H,7,17,20-21H2,1-6H3
InChIKeyVCGDTOUMKCDSDR-UHFFFAOYSA-N
MW463.60 g/mol
LogP6.66
Rot. Bonds11

About 1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine

1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine (PubChem CID 71191834) has the molecular formula C29H38NO2P and a molecular weight of 463.60 g/mol. Its IUPAC name is 1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
PubChem CID71191834
Molecular FormulaC29H38NO2P
Molecular Weight463.60 g/mol
Exact Mass463.26
IUPAC Name1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
SMILESCCCC(C)(Pc1ccc(C)cc1CN(C)C)c1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C29H38NO2P/c1-7-17-29(3,33-28-16-13-22(2)18-24(28)20-30(4)5)26-19-25(31-6)14-15-27(26)32-21-23-11-9-8-10-12-23/h8-16,18-19,33H,7,17,20-21H2,1-6H3
InChIKeyVCGDTOUMKCDSDR-UHFFFAOYSA-N
XLogP6.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.60
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
CID 71039834
1-[2-[2-(3,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-5-fluorophenyl]-N,N-dimethylmethanamine
CID 163816848
1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol
CID 71039825
4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol
CID 71191577
1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine
CID 71191593
2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde
CID 88987793
1-[2-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 89214597
[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol
CID 71191686
1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
CID 70807359
1-[2-[2-[5-benzyl-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-5-methylphenyl]ethanone
CID 89214655
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol
CID 71039808

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine (CID 71191834) is 1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine is CCCC(C)(Pc1ccc(C)cc1CN(C)C)c1cc(OC)ccc1OCc1ccccc1.
What is the InChIKey of 1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine?
The InChIKey is VCGDTOUMKCDSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38NO2P/c1-7-17-29(3,33-28-16-13-22(2)18-24(28)20-30(4)5)26-19-25(31-6)14-15-27(26)32-21-23-11-9-8-10-12-23/h8-16,18-19,33H,7,17,20-21H2,1-6H3.
What are the key properties of 1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine?
1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine has a molecular weight of 463.60 g/mol, XLogP of 6.66, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 71191834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).