2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine

C17H19NO2 — CID 54580357

IUPAC2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine
SMILESNCC[C@H]1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C17H19NO2/c18-12-11-16-13-19-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13,18H2/t16-/m0/s1
InChIKeyIOXXSJVNYGNFLD-INIZCTEOSA-N
MW269.34 g/mol
LogP2.65
Rot. Bonds4

About 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine

2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine (PubChem CID 54580357) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine
PubChem CID54580357
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine
SMILESNCC[C@H]1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C17H19NO2/c18-12-11-16-13-19-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13,18H2/t16-/m0/s1
InChIKeyIOXXSJVNYGNFLD-INIZCTEOSA-N
XLogP2.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3034023
CID 3034023
CID 66270
CID 66270
CID 66269
CID 66269
CID 14208378
CID 14208378
CID 36060
CID 36060
CID 71658
CID 71658
CID 20055409
CID 20055409
CID 52941919
CID 52941919
CID 97830
CID 97830
CID 9979829
CID 9979829
CID 11680163
CID 11680163
CID 15749449
CID 15749449

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine (CID 54580357) is 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine is NCC[C@H]1COC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is IOXXSJVNYGNFLD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO2/c18-12-11-16-13-19-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13,18H2/t16-/m0/s1.
What are the key properties of 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine?
2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 269.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 54580357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).