3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine

C14H21NO2 — CID 62790779

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine
SMILESCCC(N)(c1ccc2c(c1)OCCO2)C(C)C
InChIInChI=1S/C14H21NO2/c1-4-14(15,10(2)3)11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9-10H,4,7-8,15H2,1-3H3
InChIKeyFYPXGPXPIYGNNT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds3

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine (PubChem CID 62790779) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine
PubChem CID62790779
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine
SMILESCCC(N)(c1ccc2c(c1)OCCO2)C(C)C
InChIInChI=1S/C14H21NO2/c1-4-14(15,10(2)3)11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9-10H,4,7-8,15H2,1-3H3
InChIKeyFYPXGPXPIYGNNT-UHFFFAOYSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
2-(1,3-benzodioxol-5-yl)-3-methylbutan-2-amine
CID 82283449
3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine
CID 62791449
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydrazinylpropan-2-ol
CID 82080622
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 62791110
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261402
3-amino-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,1,1-trifluorobutan-2-ol
CID 63082063
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutane-1,3-diamine
CID 116933523
11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene;2,2-dimethylpropane
CID 43835335

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine (CID 62790779) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine is CCC(N)(c1ccc2c(c1)OCCO2)C(C)C.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine?
The InChIKey is FYPXGPXPIYGNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-14(15,10(2)3)11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9-10H,4,7-8,15H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentan-3-amine is sourced from PubChem (CID 62790779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).