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

C16H17NO2 — CID 15749483

IUPAC[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine
SMILESNC[C@H]1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C16H17NO2/c17-11-15-12-18-16(19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,17H2/t15-/m0/s1
InChIKeyBRMKTNXTLDWFFD-HNNXBMFYSA-N
MW255.32 g/mol
LogP2.26
Rot. Bonds3

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

[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 15749483) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is [(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine
PubChem CID15749483
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine
SMILESNC[C@H]1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C16H17NO2/c17-11-15-12-18-16(19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,17H2/t15-/m0/s1
InChIKeyBRMKTNXTLDWFFD-HNNXBMFYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine (CID 15749483) is [(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine is NC[C@H]1COC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of [(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is BRMKTNXTLDWFFD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO2/c17-11-15-12-18-16(19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,17H2/t15-/m0/s1.
What are the key properties of [(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine?
[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 15749483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).