2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine

C16H25NO2 — CID 103547251

IUPAC2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
SMILESCNC(CC1OCCO1)c1cccc(CC(C)C)c1
InChIInChI=1S/C16H25NO2/c1-12(2)9-13-5-4-6-14(10-13)15(17-3)11-16-18-7-8-19-16/h4-6,10,12,15-17H,7-9,11H2,1-3H3
InChIKeyBUZQWTPMVHFYRM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds6

About 2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine

2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine (PubChem CID 103547251) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
PubChem CID103547251
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
SMILESCNC(CC1OCCO1)c1cccc(CC(C)C)c1
InChIInChI=1S/C16H25NO2/c1-12(2)9-13-5-4-6-14(10-13)15(17-3)11-16-18-7-8-19-16/h4-6,10,12,15-17H,7-9,11H2,1-3H3
InChIKeyBUZQWTPMVHFYRM-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
CID 105050817
3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 105050635
N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine
CID 105050603
2-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544108
1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103546759
2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103546700
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547142
2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722194
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
CID 115838200
2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 103547010
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050622

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine (CID 103547251) is 2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine is CNC(CC1OCCO1)c1cccc(CC(C)C)c1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is BUZQWTPMVHFYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)9-13-5-4-6-14(10-13)15(17-3)11-16-18-7-8-19-16/h4-6,10,12,15-17H,7-9,11H2,1-3H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine?
2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 103547251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).