N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine

C15H18NOPS — CID 102380213

IUPACN-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine
SMILESCCOP(=S)(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NOPS/c1-2-17-18(19,15-11-7-4-8-12-15)16-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,16,19)
InChIKeyDNJDRYSRYDDILV-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.45
Rot. Bonds6

About N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine

N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine (PubChem CID 102380213) has the molecular formula C15H18NOPS and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine
PubChem CID102380213
Molecular FormulaC15H18NOPS
Molecular Weight291.36 g/mol
Exact Mass291.08
IUPAC NameN-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine
SMILESCCOP(=S)(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NOPS/c1-2-17-18(19,15-11-7-4-8-12-15)16-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,16,19)
InChIKeyDNJDRYSRYDDILV-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
N-benzyl-1-diethoxyphosphorylpropan-1-amine
CID 71361859
N-[phenoxy(phenyl)phosphoryl]-1-phenylmethanamine
CID 143869037
potassium benzylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 70633644
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
N-dimethylphosphoryl-1-phenylmethanamine
CID 163638802
benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 598912
N-dimethoxyphosphoryl-1-phenylmethanamine
CID 10954934
N-[diethoxyphosphinothioyl(phenyl)methyl]-4-ethylaniline
CID 4299558
diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane
CID 12663682
(Z)-4-diethoxyphosphinothioylsulfanyl-3-methyl-2-(2-phenylethyl)but-2-en-1-ol
CID 102367519
(3R)-3-(benzylamino)-3-diethoxyphosphorylpropanenitrile
CID 102399088

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine?
The IUPAC name of N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine (CID 102380213) is N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine.
What is the SMILES notation for N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine?
The canonical SMILES for N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine is CCOP(=S)(NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine?
The InChIKey is DNJDRYSRYDDILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NOPS/c1-2-17-18(19,15-11-7-4-8-12-15)16-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,16,19).
What are the key properties of N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine?
N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine has a molecular weight of 291.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine is sourced from PubChem (CID 102380213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).