N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine

C15H23NO2 — CID 43098963

IUPACN-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC(C)CCC(C)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO2/c1-11(2)4-5-12(3)16-13-6-7-14-15(10-13)18-9-8-17-14/h6-7,10-12,16H,4-5,8-9H2,1-3H3
InChIKeyWYQQESZTFNFTFU-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.69
Rot. Bonds5

About N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine

N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 43098963) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID43098963
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC(C)CCC(C)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO2/c1-11(2)4-5-12(3)16-13-6-7-14-15(10-13)18-9-8-17-14/h6-7,10-12,16H,4-5,8-9H2,1-3H3
InChIKeyWYQQESZTFNFTFU-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 29035143
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 103387198
N-octan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43129743
N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115903256
N-octan-2-yl-1,3-benzodioxol-5-amine
CID 43129908
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598
N-heptan-3-yl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63945872
2-(1,3-benzodioxol-5-ylamino)-5-methylhexanoic acid
CID 5230063
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methylbutanenitrile
CID 82128876
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol
CID 39242231
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide
CID 43086701
N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193618

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 43098963) is N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine is CC(C)CCC(C)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is WYQQESZTFNFTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)4-5-12(3)16-13-6-7-14-15(10-13)18-9-8-17-14/h6-7,10-12,16H,4-5,8-9H2,1-3H3.
What are the key properties of N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 249.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 43098963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).