1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine

C14H21NO3 — CID 62800106

IUPAC1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1C)C1COCCO1
InChIInChI=1S/C14H21NO3/c1-10-8-11(16-3)4-5-12(10)14(15-2)13-9-17-6-7-18-13/h4-5,8,13-15H,6-7,9H2,1-3H3
InChIKeyAYMLPVHTSUNHKY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.68
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine

1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (PubChem CID 62800106) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
PubChem CID62800106
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1C)C1COCCO1
InChIInChI=1S/C14H21NO3/c1-10-8-11(16-3)4-5-12(10)14(15-2)13-9-17-6-7-18-13/h4-5,8,13-15H,6-7,9H2,1-3H3
InChIKeyAYMLPVHTSUNHKY-UHFFFAOYSA-N
XLogP1.68
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxan-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 55119570
1-(1,4-dioxan-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 62800276
1-(2,5-dimethylfuran-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62805801
1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 55120045
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
[1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302410
N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276557
1-(4-cyclopropyloxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 105051615
N-[1,4-dioxan-2-yl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 162409373
1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62800274
2-[bromo-(4-methoxy-2-methylphenyl)methyl]oxolane
CID 61098086
1-(2-bromo-4-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61276590

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (CID 62800106) is 1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1C)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The InChIKey is AYMLPVHTSUNHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-8-11(16-3)4-5-12(10)14(15-2)13-9-17-6-7-18-13/h4-5,8,13-15H,6-7,9H2,1-3H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine has a molecular weight of 251.33 g/mol, XLogP of 1.68, 4 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)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 62800106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).