N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine

C22H40NP — CID 134905233

IUPACN-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cc(CP(CC(C)C)CC(C)C)c(C)cc1C
InChIInChI=1S/C22H40NP/c1-9-23(10-2)13-21-12-22(20(8)11-19(21)7)16-24(14-17(3)4)15-18(5)6/h11-12,17-18H,9-10,13-16H2,1-8H3
InChIKeyKEFHJUIOAOKZDW-UHFFFAOYSA-N
MW349.54 g/mol
LogP6.44
Rot. Bonds10

About N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine

N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine (PubChem CID 134905233) has the molecular formula C22H40NP and a molecular weight of 349.54 g/mol. Its IUPAC name is N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine
PubChem CID134905233
Molecular FormulaC22H40NP
Molecular Weight349.54 g/mol
Exact Mass349.29
IUPAC NameN-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cc(CP(CC(C)C)CC(C)C)c(C)cc1C
InChIInChI=1S/C22H40NP/c1-9-23(10-2)13-21-12-22(20(8)11-19(21)7)16-24(14-17(3)4)15-18(5)6/h11-12,17-18H,9-10,13-16H2,1-8H3
InChIKeyKEFHJUIOAOKZDW-UHFFFAOYSA-N
XLogP6.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.54
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine (CID 134905233) is N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine is CCN(CC)Cc1cc(CP(CC(C)C)CC(C)C)c(C)cc1C.
What is the InChIKey of N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine?
The InChIKey is KEFHJUIOAOKZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40NP/c1-9-23(10-2)13-21-12-22(20(8)11-19(21)7)16-24(14-17(3)4)15-18(5)6/h11-12,17-18H,9-10,13-16H2,1-8H3.
What are the key properties of N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine?
N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine has a molecular weight of 349.54 g/mol, XLogP of 6.44, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[bis(2-methylpropyl)phosphanylmethyl]-2,4-dimethylphenyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 134905233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).