3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine

C13H19NO2 — CID 11160361

IUPAC3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine
SMILESCC1(C(CCN)c2ccccc2)OCCO1
InChIInChI=1S/C13H19NO2/c1-13(15-9-10-16-13)12(7-8-14)11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3
InChIKeyUPYJZOKACALKFP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.88
Rot. Bonds4

About 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine

3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine (PubChem CID 11160361) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine
PubChem CID11160361
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine
SMILESCC1(C(CCN)c2ccccc2)OCCO1
InChIInChI=1S/C13H19NO2/c1-13(15-9-10-16-13)12(7-8-14)11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3
InChIKeyUPYJZOKACALKFP-UHFFFAOYSA-N
XLogP1.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine?
The IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine (CID 11160361) is 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine is CC1(C(CCN)c2ccccc2)OCCO1.
What is the InChIKey of 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine?
The InChIKey is UPYJZOKACALKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(15-9-10-16-13)12(7-8-14)11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3.
What are the key properties of 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine?
3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 11160361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).