1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

C16H25NO2 — CID 62800261

IUPAC1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCCC(C)c1ccc(C(NC)C2COCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-4-12(2)13-5-7-14(8-6-13)16(17-3)15-11-18-9-10-19-15/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyWTRRSOGGNRUWNH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (PubChem CID 62800261) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
PubChem CID62800261
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCCC(C)c1ccc(C(NC)C2COCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-4-12(2)13-5-7-14(8-6-13)16(17-3)15-11-18-9-10-19-15/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyWTRRSOGGNRUWNH-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyloxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 105051615
N-[1,4-dioxan-2-yl-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 62805613
N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 62798500
1-(1,4-dioxan-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 62800276
[1,4-dioxan-2-yl-(4-propylphenyl)methyl]hydrazine
CID 105303764
1-(1,4-dioxan-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291816
6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 62797975
1-(1,4-dioxan-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291492
N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine
CID 62798503
(4-butan-2-ylphenyl)-(1,4-dioxan-2-yl)methanone
CID 62799391
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105036000
3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine
CID 65352984

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (CID 62800261) is 1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is CCC(C)c1ccc(C(NC)C2COCCO2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The InChIKey is WTRRSOGGNRUWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-12(2)13-5-7-14(8-6-13)16(17-3)15-11-18-9-10-19-15/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62800261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).