2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine

C15H23NO3 — CID 103546700

IUPAC2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCNC(CC1OCCO1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)19-13-6-4-12(5-7-13)14(16-3)10-15-17-8-9-18-15/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyUIWKNGPFWFQOJQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds6

About 2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine

2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 103546700) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID103546700
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCNC(CC1OCCO1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)19-13-6-4-12(5-7-13)14(16-3)10-15-17-8-9-18-15/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyUIWKNGPFWFQOJQ-UHFFFAOYSA-N
XLogP2.50
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103546701
N-methyl-3-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 63951733
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547142
4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 105144752
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
[2-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105267564
methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
CID 116955534
N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 61276553
2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 103547251
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777
2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 103546459
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine (CID 103546700) is 2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine is CNC(CC1OCCO1)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is UIWKNGPFWFQOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)19-13-6-4-12(5-7-13)14(16-3)10-15-17-8-9-18-15/h4-7,11,14-16H,8-10H2,1-3H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine?
2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 103546700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).