1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine

C14H21NO3 — CID 115825275

IUPAC1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(C(N)C2COCCO2)c1
InChIInChI=1S/C14H21NO3/c1-10(2)18-12-5-3-4-11(8-12)14(15)13-9-16-6-7-17-13/h3-5,8,10,13-14H,6-7,9,15H2,1-2H3
InChIKeyMQUPITRAXZDHII-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.89
Rot. Bonds4

About 1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine

1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 115825275) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine
PubChem CID115825275
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(C(N)C2COCCO2)c1
InChIInChI=1S/C14H21NO3/c1-10(2)18-12-5-3-4-11(8-12)14(15)13-9-16-6-7-17-13/h3-5,8,10,13-14H,6-7,9,15H2,1-2H3
InChIKeyMQUPITRAXZDHII-UHFFFAOYSA-N
XLogP1.89
TPSA53.71 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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
CID 65351089
1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine
CID 65351256
N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694691
1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 65352870
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine
CID 62804713
5-[amino(1,4-dioxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62797798
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510
furan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 62919979
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
[2-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105198673

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of 1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine (CID 115825275) is 1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for 1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for 1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine is CC(C)Oc1cccc(C(N)C2COCCO2)c1.
What is the InChIKey of 1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is MQUPITRAXZDHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)18-12-5-3-4-11(8-12)14(15)13-9-16-6-7-17-13/h3-5,8,10,13-14H,6-7,9,15H2,1-2H3.
What are the key properties of 1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine?
1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 115825275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).