2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine

C15H23NO4 — CID 103547148

IUPAC2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
SMILESCNC(CC1OCCO1)c1ccccc1OCCOC
InChIInChI=1S/C15H23NO4/c1-16-13(11-15-19-9-10-20-15)12-5-3-4-6-14(12)18-8-7-17-2/h3-6,13,15-16H,7-11H2,1-2H3
InChIKeyAKLKGEVHDAKMHZ-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.74
Rot. Bonds8

About 2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine

2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine (PubChem CID 103547148) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
PubChem CID103547148
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
SMILESCNC(CC1OCCO1)c1ccccc1OCCOC
InChIInChI=1S/C15H23NO4/c1-16-13(11-15-19-9-10-20-15)12-5-3-4-6-14(12)18-8-7-17-2/h3-6,13,15-16H,7-11H2,1-2H3
InChIKeyAKLKGEVHDAKMHZ-UHFFFAOYSA-N
XLogP1.74
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
CID 104660220
1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
CID 105035211
1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol
CID 104659735
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105035228
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 104660580
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]-N,2-dimethylpropan-1-amine
CID 104660418
1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659993
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 104659836

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine (CID 103547148) is 2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine is CNC(CC1OCCO1)c1ccccc1OCCOC.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine?
The InChIKey is AKLKGEVHDAKMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-16-13(11-15-19-9-10-20-15)12-5-3-4-6-14(12)18-8-7-17-2/h3-6,13,15-16H,7-11H2,1-2H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine?
2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine has a molecular weight of 281.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 103547148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).