1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine

C16H25NO2 — CID 65352196

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine
SMILESCNC(CCC(C)(C)C)C1COc2ccccc2O1
InChIInChI=1S/C16H25NO2/c1-16(2,3)10-9-12(17-4)15-11-18-13-7-5-6-8-14(13)19-15/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyYQBFUJFDNQACMZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.24
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine (PubChem CID 65352196) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine
PubChem CID65352196
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine
SMILESCNC(CCC(C)(C)C)C1COc2ccccc2O1
InChIInChI=1S/C16H25NO2/c1-16(2,3)10-9-12(17-4)15-11-18-13-7-5-6-8-14(13)19-15/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyYQBFUJFDNQACMZ-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
CID 65352769
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(propan-2-ylamino)propan-1-ol
CID 71633036
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049477
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,4,4-trifluorobutan-1-amine
CID 65352554
1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine
CID 105230212
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126
(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 22819017
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 65352612
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 65351956
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-propylbut-3-yn-1-amine
CID 65352058
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine
CID 105230151

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine (CID 65352196) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine is CNC(CCC(C)(C)C)C1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine?
The InChIKey is YQBFUJFDNQACMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,3)10-9-12(17-4)15-11-18-13-7-5-6-8-14(13)19-15/h5-8,12,15,17H,9-11H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 65352196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).