1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine

C24H29N2P — CID 155215939

IUPAC1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine
SMILESCC(C)NC(NCCc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N2P/c1-20(2)26-24(25-19-18-21-12-6-3-7-13-21)27(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24-26H,18-19H2,1-2H3
InChIKeyITOIZJYOFLGHMH-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.23
Rot. Bonds9

About 1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine

1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine (PubChem CID 155215939) has the molecular formula C24H29N2P and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine.

Molecular Properties

Compound Name1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine
PubChem CID155215939
Molecular FormulaC24H29N2P
Molecular Weight376.48 g/mol
Exact Mass376.21
IUPAC Name1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine
SMILESCC(C)NC(NCCc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N2P/c1-20(2)26-24(25-19-18-21-12-6-3-7-13-21)27(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24-26H,18-19H2,1-2H3
InChIKeyITOIZJYOFLGHMH-UHFFFAOYSA-N
XLogP4.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine
CID 153313858
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine
CID 87094669
1-chloro-N-(2-phenylethyl)propan-2-amine
CID 65025735
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
CID 28615648
3-ethyl-N-(2-phenylethyl)pentan-2-amine
CID 63844116
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine?
The IUPAC name of 1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine (CID 155215939) is 1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine.
What is the SMILES notation for 1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine?
The canonical SMILES for 1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine is CC(C)NC(NCCc1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine?
The InChIKey is ITOIZJYOFLGHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N2P/c1-20(2)26-24(25-19-18-21-12-6-3-7-13-21)27(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24-26H,18-19H2,1-2H3.
What are the key properties of 1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine?
1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine has a molecular weight of 376.48 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine is sourced from PubChem (CID 155215939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).