1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine

C15H23NO2 — CID 103546450

IUPAC1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
SMILESCCc1ccc(CC(CC2OCCO2)NC)cc1
InChIInChI=1S/C15H23NO2/c1-3-12-4-6-13(7-5-12)10-14(16-2)11-15-17-8-9-18-15/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyWNUBJVDZIFUTQL-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.14
Rot. Bonds6

About 1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine

1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine (PubChem CID 103546450) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
PubChem CID103546450
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
SMILESCCc1ccc(CC(CC2OCCO2)NC)cc1
InChIInChI=1S/C15H23NO2/c1-3-12-4-6-13(7-5-12)10-14(16-2)11-15-17-8-9-18-15/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyWNUBJVDZIFUTQL-UHFFFAOYSA-N
XLogP2.14
TPSA30.49 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 103546894
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
1-cyclohexyl-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 115802880
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546818
1-(1,3-dioxolan-2-yl)-4-ethyl-N-methylhexan-2-amine
CID 103547104
1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105101340
4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291267
1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol
CID 65350862
1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546384
1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 103164153
1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987071
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine (CID 103546450) is 1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine is CCc1ccc(CC(CC2OCCO2)NC)cc1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine?
The InChIKey is WNUBJVDZIFUTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-12-4-6-13(7-5-12)10-14(16-2)11-15-17-8-9-18-15/h4-7,14-16H,3,8-11H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine?
1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 103546450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).