(R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine

C14H21NO2 — CID 46177691

IUPAC(R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine
SMILESCC1(C)OC([C@H](N)c2ccccc2)OC1(C)C
InChIInChI=1S/C14H21NO2/c1-13(2)14(3,4)17-12(16-13)11(15)10-8-6-5-7-9-10/h5-9,11-12H,15H2,1-4H3/t11-/m1/s1
InChIKeyZLJRXVKWIPQTMF-LLVKDONJSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds2

About (R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine

(R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine (PubChem CID 46177691) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine.

Molecular Properties

Compound Name(R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine
PubChem CID46177691
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine
SMILESCC1(C)OC([C@H](N)c2ccccc2)OC1(C)C
InChIInChI=1S/C14H21NO2/c1-13(2)14(3,4)17-12(16-13)11(15)10-8-6-5-7-9-10/h5-9,11-12H,15H2,1-4H3/t11-/m1/s1
InChIKeyZLJRXVKWIPQTMF-LLVKDONJSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine?
The IUPAC name of (R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine (CID 46177691) is (R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine.
What is the SMILES notation for (R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine?
The canonical SMILES for (R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine is CC1(C)OC([C@H](N)c2ccccc2)OC1(C)C.
What is the InChIKey of (R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine?
The InChIKey is ZLJRXVKWIPQTMF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(2)14(3,4)17-12(16-13)11(15)10-8-6-5-7-9-10/h5-9,11-12H,15H2,1-4H3/t11-/m1/s1.
What are the key properties of (R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine?
(R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methanamine is sourced from PubChem (CID 46177691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).