N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine

C15H23NO3 — CID 62798503

IUPACN-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)C1COCCO1
InChIInChI=1S/C15H23NO3/c1-3-16-15(14-11-17-9-10-19-14)12-5-7-13(8-6-12)18-4-2/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyNOZZOCOKUIVTTG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.15
Rot. Bonds6

About N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine

N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine (PubChem CID 62798503) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine
PubChem CID62798503
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)C1COCCO1
InChIInChI=1S/C15H23NO3/c1-3-16-15(14-11-17-9-10-19-14)12-5-7-13(8-6-12)18-4-2/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyNOZZOCOKUIVTTG-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 62798500
N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 62800281
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 65328700
N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine
CID 114286912
1-(4-cyclopropyloxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 105051615
[1,4-dioxan-2-yl-(4-propylphenyl)methyl]hydrazine
CID 105303764
N-[1,4-dioxan-2-yl-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 62805613
N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 55120194
1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62800261
1-(4-ethoxyphenyl)-N-methyl-1-morpholin-3-ylmethanamine
CID 116956547
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine (CID 62798503) is N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OCC)cc1)C1COCCO1.
What is the InChIKey of N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine?
The InChIKey is NOZZOCOKUIVTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-16-15(14-11-17-9-10-19-14)12-5-7-13(8-6-12)18-4-2/h5-8,14-16H,3-4,9-11H2,1-2H3.
What are the key properties of N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine?
N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 62798503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).