3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine

C15H23NO2 — CID 11276746

IUPAC3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine
SMILESCCCC1(C(CN)Cc2ccccc2)OCCO1
InChIInChI=1S/C15H23NO2/c1-2-8-15(17-9-10-18-15)14(12-16)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12,16H2,1H3
InChIKeyHCJQFAHOEJQIGE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.35
Rot. Bonds6

About 3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine

3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine (PubChem CID 11276746) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine
PubChem CID11276746
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine
SMILESCCCC1(C(CN)Cc2ccccc2)OCCO1
InChIInChI=1S/C15H23NO2/c1-2-8-15(17-9-10-18-15)14(12-16)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12,16H2,1H3
InChIKeyHCJQFAHOEJQIGE-UHFFFAOYSA-N
XLogP2.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine?
The IUPAC name of 3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine (CID 11276746) is 3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine.
What is the SMILES notation for 3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine?
The canonical SMILES for 3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine is CCCC1(C(CN)Cc2ccccc2)OCCO1.
What is the InChIKey of 3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine?
The InChIKey is HCJQFAHOEJQIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-8-15(17-9-10-18-15)14(12-16)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12,16H2,1H3.
What are the key properties of 3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine?
3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine is sourced from PubChem (CID 11276746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).