(1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine

C26H24NP — CID 46177587

IUPAC(1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine
SMILESN[C@@H](c1ccccc1)[C@H](c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24NP/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H,27H2/t25-,26-/m0/s1
InChIKeyMIPGTOGPLXZBQX-UIOOFZCWSA-N
MW381.46 g/mol
LogP5.56
Rot. Bonds6

About (1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine

(1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine (PubChem CID 46177587) has the molecular formula C26H24NP and a molecular weight of 381.46 g/mol. Its IUPAC name is (1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine.

Molecular Properties

Compound Name(1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine
PubChem CID46177587
Molecular FormulaC26H24NP
Molecular Weight381.46 g/mol
Exact Mass381.16
IUPAC Name(1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine
SMILESN[C@@H](c1ccccc1)[C@H](c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24NP/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H,27H2/t25-,26-/m0/s1
InChIKeyMIPGTOGPLXZBQX-UIOOFZCWSA-N
XLogP5.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Amn082
CID 1894361
1,2-Diphenylethylamine
CID 26482
(1R,2R)-(+)-1,2-Diphenylethylenediamine
CID 2724998
(1S,2S)-1,2-diphenylethane-1,2-diamine
CID 6931238
Meso-1,2-Diphenylethylenediamine
CID 6931234
N-Benzyl(triphenyl)methanamine
CID 623373
1,2-Diphenylethane-1,2-diamine
CID 110695
1,2-Diphenylethan-1-amine hydrochloride
CID 91161
(1S)-1,2-diphenylethan-1-amine
CID 1383071
Cyclohexylamine, N-trityl-
CID 618343
1,3-Diphenylpropylamine
CID 110690
N-Benzyl-alpha-phenylphenethylamine
CID 410840

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine?
The IUPAC name of (1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine (CID 46177587) is (1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine.
What is the SMILES notation for (1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine?
The canonical SMILES for (1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine is N[C@@H](c1ccccc1)[C@H](c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine?
The InChIKey is MIPGTOGPLXZBQX-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H24NP/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H,27H2/t25-,26-/m0/s1.
What are the key properties of (1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine?
(1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine has a molecular weight of 381.46 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine is sourced from PubChem (CID 46177587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).