(2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol

C12H17NO3 — CID 75501635

IUPAC(2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol
SMILESOC[C@@H](NCC1OCCO1)c1ccccc1
InChIInChI=1S/C12H17NO3/c14-9-11(10-4-2-1-3-5-10)13-8-12-15-6-7-16-12/h1-5,11-14H,6-9H2/t11-/m1/s1
InChIKeyCCZKGJGXEZBKMV-LLVKDONJSA-N
MW223.27 g/mol
LogP0.68
Rot. Bonds5

About (2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol

(2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol (PubChem CID 75501635) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol
PubChem CID75501635
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol
SMILESOC[C@@H](NCC1OCCO1)c1ccccc1
InChIInChI=1S/C12H17NO3/c14-9-11(10-4-2-1-3-5-10)13-8-12-15-6-7-16-12/h1-5,11-14H,6-9H2/t11-/m1/s1
InChIKeyCCZKGJGXEZBKMV-LLVKDONJSA-N
XLogP0.68
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol?
The IUPAC name of (2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol (CID 75501635) is (2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol?
The canonical SMILES for (2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol is OC[C@@H](NCC1OCCO1)c1ccccc1.
What is the InChIKey of (2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol?
The InChIKey is CCZKGJGXEZBKMV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO3/c14-9-11(10-4-2-1-3-5-10)13-8-12-15-6-7-16-12/h1-5,11-14H,6-9H2/t11-/m1/s1.
What are the key properties of (2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol?
(2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol has a molecular weight of 223.27 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxolan-2-ylmethylamino)-2-phenylethanol is sourced from PubChem (CID 75501635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).