1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine

C15H23NO3 — CID 105036000

IUPAC1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(NC)C1COCCO1
InChIInChI=1S/C15H23NO3/c1-3-8-18-13-7-5-4-6-12(13)15(16-2)14-11-17-9-10-19-14/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyRMRBXOLLLYDSAR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.15
Rot. Bonds6

About 1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine

1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine (PubChem CID 105036000) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
PubChem CID105036000
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(NC)C1COCCO1
InChIInChI=1S/C15H23NO3/c1-3-8-18-13-7-5-4-6-12(13)15(16-2)14-11-17-9-10-19-14/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyRMRBXOLLLYDSAR-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-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine
CID 105035833
1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine
CID 65352569
3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine
CID 65352984
1-(2-ethoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79663982
N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
CID 104660281
1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 55120045
1-(2,5-dimethylfuran-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62805801
1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62800261
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105035228
1-(4-ethylmorpholin-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 79666959
N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035798
2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
CID 103547148

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine (CID 105036000) is 1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(NC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine?
The InChIKey is RMRBXOLLLYDSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-8-18-13-7-5-4-6-12(13)15(16-2)14-11-17-9-10-19-14/h4-7,14-16H,3,8-11H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine?
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine 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 1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105036000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).