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

C14H19NO2 — CID 115903256

IUPACN-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC(CC1CC1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO2/c1-10(8-11-2-3-11)15-12-4-5-13-14(9-12)17-7-6-16-13/h4-5,9-11,15H,2-3,6-8H2,1H3
InChIKeyAGOUNQMAJGGMOP-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.06
Rot. Bonds4

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

N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 115903256) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID115903256
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC(CC1CC1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO2/c1-10(8-11-2-3-11)15-12-4-5-13-14(9-12)17-7-6-16-13/h4-5,9-11,15H,2-3,6-8H2,1H3
InChIKeyAGOUNQMAJGGMOP-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.06
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-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43098963
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 103387198
N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 29035143
1-cyclobutyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propan-2-amine
CID 115706310
N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline
CID 115922487
N-(dicyclopropylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43173317
N-[(1S)-1-cyclohexylbut-3-enyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 134956401
N-octan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43129743
N-[1-(1-methylpiperidin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43307584
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methylbutanenitrile
CID 82128876
N-but-3-en-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 107906314
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 63990132

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 115903256) is N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine is CC(CC1CC1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is AGOUNQMAJGGMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(8-11-2-3-11)15-12-4-5-13-14(9-12)17-7-6-16-13/h4-5,9-11,15H,2-3,6-8H2,1H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 233.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 115903256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).