(1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine

C13H20NO3P — CID 102390457

IUPAC(1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine
SMILESCCOP(=O)(OCC)[C@@]1(N)CCc2ccccc21
InChIInChI=1S/C13H20NO3P/c1-3-16-18(15,17-4-2)13(14)10-9-11-7-5-6-8-12(11)13/h5-8H,3-4,9-10,14H2,1-2H3/t13-/m0/s1
InChIKeyXXFYXZHSMPDWAQ-ZDUSSCGKSA-N
MW269.28 g/mol
LogP3.01
Rot. Bonds5

About (1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine

(1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine (PubChem CID 102390457) has the molecular formula C13H20NO3P and a molecular weight of 269.28 g/mol. Its IUPAC name is (1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name(1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine
PubChem CID102390457
Molecular FormulaC13H20NO3P
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name(1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine
SMILESCCOP(=O)(OCC)[C@@]1(N)CCc2ccccc21
InChIInChI=1S/C13H20NO3P/c1-3-16-18(15,17-4-2)13(14)10-9-11-7-5-6-8-12(11)13/h5-8H,3-4,9-10,14H2,1-2H3/t13-/m0/s1
InChIKeyXXFYXZHSMPDWAQ-ZDUSSCGKSA-N
XLogP3.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate
CID 102390460
ethyl 2-(1-hydroxy-2,3-dihydroinden-1-yl)pentanoate
CID 83043699
N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine
CID 135391786
1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one
CID 70096888
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
CID 82919598
5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 62802871
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
CID 134496722
ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 94425197
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
ethyl 2,2-difluoro-2-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]acetate
CID 57381971
ethyl (1S)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 155818705

Frequently Asked Questions

What is the IUPAC name of (1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine?
The IUPAC name of (1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine (CID 102390457) is (1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine.
What is the SMILES notation for (1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine?
The canonical SMILES for (1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine is CCOP(=O)(OCC)[C@@]1(N)CCc2ccccc21.
What is the InChIKey of (1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine?
The InChIKey is XXFYXZHSMPDWAQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20NO3P/c1-3-16-18(15,17-4-2)13(14)10-9-11-7-5-6-8-12(11)13/h5-8H,3-4,9-10,14H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine?
(1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine has a molecular weight of 269.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine is sourced from PubChem (CID 102390457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).