2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine

C14H21NO2 — CID 117343489

IUPAC2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine
SMILESCC1(C)OCC(c2cccc(C(C)(C)N)c2)O1
InChIInChI=1S/C14H21NO2/c1-13(2,15)11-7-5-6-10(8-11)12-9-16-14(3,4)17-12/h5-8,12H,9,15H2,1-4H3
InChIKeyNQCSBFMCYGQZIU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.70
Rot. Bonds2

About 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine

2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine (PubChem CID 117343489) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine
PubChem CID117343489
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine
SMILESCC1(C)OCC(c2cccc(C(C)(C)N)c2)O1
InChIInChI=1S/C14H21NO2/c1-13(2,15)11-7-5-6-10(8-11)12-9-16-14(3,4)17-12/h5-8,12H,9,15H2,1-4H3
InChIKeyNQCSBFMCYGQZIU-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine?
The IUPAC name of 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine (CID 117343489) is 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine is CC1(C)OCC(c2cccc(C(C)(C)N)c2)O1.
What is the InChIKey of 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine?
The InChIKey is NQCSBFMCYGQZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(2,15)11-7-5-6-10(8-11)12-9-16-14(3,4)17-12/h5-8,12H,9,15H2,1-4H3.
What are the key properties of 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine?
2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 117343489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).