(1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine

C20H19N2O2P — CID 11581097

IUPAC(1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine
SMILESO=[N+]([O-])C[C@H](NP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N2O2P/c23-22(24)16-20(17-10-4-1-5-11-17)21-25(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-/m0/s1
InChIKeySQMAAMBRIVKQGQ-FQEVSTJZSA-N
MW350.36 g/mol
LogP3.64
Rot. Bonds7

About (1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine

(1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine (PubChem CID 11581097) has the molecular formula C20H19N2O2P and a molecular weight of 350.36 g/mol. Its IUPAC name is (1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine
PubChem CID11581097
Molecular FormulaC20H19N2O2P
Molecular Weight350.36 g/mol
Exact Mass350.12
IUPAC Name(1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine
SMILESO=[N+]([O-])C[C@H](NP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N2O2P/c23-22(24)16-20(17-10-4-1-5-11-17)21-25(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-/m0/s1
InChIKeySQMAAMBRIVKQGQ-FQEVSTJZSA-N
XLogP3.64
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-nitro-1-phenylethyl)benzene
CID 11521460
[(1R)-1-chloro-2-nitroethyl]benzene
CID 164680326
prop-2-enyl N-[(1S)-2-nitro-1-phenylethyl]carbamate
CID 24867814
CID 134833437
CID 134833437
N-[2-nitro-1-(3-nitrophenyl)ethyl]aniline
CID 101428358
(1R)-N-diphenylphosphoryl-1-(4-methylphenyl)-2-nitroethanamine
CID 101018797
2,4-dimethoxy-N-[(1R)-2-nitro-1-phenylethyl]aniline
CID 94714144
(2R,3R)-1-nitro-3-phenylbutan-2-ol
CID 102161516
(2-nitro-1-phenylethyl) nitrite
CID 163739993
2-[(1S)-2-nitro-1-phenylethyl]phenol
CID 132503470
(3R)-4-nitro-3-phenylbutanoic acid
CID 26339937
(2-nitro-1-phenylethyl) formate
CID 57260888

Frequently Asked Questions

What is the IUPAC name of (1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine?
The IUPAC name of (1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine (CID 11581097) is (1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine.
What is the SMILES notation for (1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine?
The canonical SMILES for (1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine is O=[N+]([O-])C[C@H](NP(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine?
The InChIKey is SQMAAMBRIVKQGQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19N2O2P/c23-22(24)16-20(17-10-4-1-5-11-17)21-25(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-/m0/s1.
What are the key properties of (1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine?
(1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine has a molecular weight of 350.36 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-diphenylphosphanyl-2-nitro-1-phenylethanamine is sourced from PubChem (CID 11581097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).