N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine

C24H26NO2P — CID 135391786

IUPACN-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine
SMILESCCOP(=O)(c1ccccc1)C1(NCc2ccccc2)CCc2ccccc21
InChIInChI=1S/C24H26NO2P/c1-2-27-28(26,22-14-7-4-8-15-22)24(25-19-20-11-5-3-6-12-20)18-17-21-13-9-10-16-23(21)24/h3-16,25H,2,17-19H2,1H3
InChIKeyKHRCKRSFXAJBDR-UHFFFAOYSA-N
MW391.45 g/mol
LogP5.22
Rot. Bonds7

About N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine

N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine (PubChem CID 135391786) has the molecular formula C24H26NO2P and a molecular weight of 391.45 g/mol. Its IUPAC name is N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine
PubChem CID135391786
Molecular FormulaC24H26NO2P
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine
SMILESCCOP(=O)(c1ccccc1)C1(NCc2ccccc2)CCc2ccccc21
InChIInChI=1S/C24H26NO2P/c1-2-27-28(26,22-14-7-4-8-15-22)24(25-19-20-11-5-3-6-12-20)18-17-21-13-9-10-16-23(21)24/h3-16,25H,2,17-19H2,1H3
InChIKeyKHRCKRSFXAJBDR-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile
CID 876291
(1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine
CID 102390457
1-[ethoxy(phenyl)phosphoryl]cyclobutane-1-carbonitrile
CID 876393
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate
CID 102390460
N-benzyl-1-diethoxyphosphorylpropan-1-amine
CID 71361859
N-benzyl-1-diphenylphosphorylcyclohexan-1-amine
CID 134849791
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
ethyl 4-(benzylamino)bicyclo[2.2.2]oct-2-ene-1-carboxylate
CID 46831041
N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine
CID 102380213
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine?
The IUPAC name of N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine (CID 135391786) is N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine.
What is the SMILES notation for N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine?
The canonical SMILES for N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine is CCOP(=O)(c1ccccc1)C1(NCc2ccccc2)CCc2ccccc21.
What is the InChIKey of N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine?
The InChIKey is KHRCKRSFXAJBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26NO2P/c1-2-27-28(26,22-14-7-4-8-15-22)24(25-19-20-11-5-3-6-12-20)18-17-21-13-9-10-16-23(21)24/h3-16,25H,2,17-19H2,1H3.
What are the key properties of N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine?
N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine has a molecular weight of 391.45 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 135391786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).