3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine

C14H21NO2 — CID 117342903

IUPAC3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine
SMILESCc1cc(C(C)CCN)c2c(c1C)OCCO2
InChIInChI=1S/C14H21NO2/c1-9(4-5-15)12-8-10(2)11(3)13-14(12)17-7-6-16-13/h8-9H,4-7,15H2,1-3H3
InChIKeyHYWPZRLWCHOUTK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.53
Rot. Bonds3

About 3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine

3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine (PubChem CID 117342903) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine
PubChem CID117342903
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine
SMILESCc1cc(C(C)CCN)c2c(c1C)OCCO2
InChIInChI=1S/C14H21NO2/c1-9(4-5-15)12-8-10(2)11(3)13-14(12)17-7-6-16-13/h8-9H,4-7,15H2,1-3H3
InChIKeyHYWPZRLWCHOUTK-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 117319704
3-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]butan-1-amine
CID 117396093
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
3-(6,7-dimethyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 117316750
3-(6,7-dimethyl-1,3-benzodioxol-4-yl)butanal
CID 117314300
3-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]butan-1-amine
CID 117467255
3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]butan-1-amine
CID 117439913
3-(5,6-dimethyl-1,3-benzodioxol-4-yl)butan-1-amine
CID 117316752
6-(4-aminobutan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117319949
3-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine
CID 117459764
3-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 117356387
3-(7-bromo-6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 117461007

Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine?
The IUPAC name of 3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine (CID 117342903) is 3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine.
What is the SMILES notation for 3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine?
The canonical SMILES for 3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine is Cc1cc(C(C)CCN)c2c(c1C)OCCO2.
What is the InChIKey of 3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine?
The InChIKey is HYWPZRLWCHOUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(4-5-15)12-8-10(2)11(3)13-14(12)17-7-6-16-13/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine?
3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine is sourced from PubChem (CID 117342903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).