N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine

C14H16N2O2 — CID 79089648

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine
SMILESCC(Nn1cccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O2/c1-11(15-16-6-2-3-7-16)12-4-5-13-14(10-12)18-9-8-17-13/h2-7,10-11,15H,8-9H2,1H3
InChIKeyOTEBXMQDABZREF-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.56
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine (PubChem CID 79089648) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine
PubChem CID79089648
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine
SMILESCC(Nn1cccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O2/c1-11(15-16-6-2-3-7-16)12-4-5-13-14(10-12)18-9-8-17-13/h2-7,10-11,15H,8-9H2,1H3
InChIKeyOTEBXMQDABZREF-UHFFFAOYSA-N
XLogP2.56
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpropan-1-amine
CID 43177362
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline
CID 43123968
6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 95135138
2-[4-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazin-1-yl]pyrimidine
CID 118902935
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43206020
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine
CID 82712701
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea
CID 55473711
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine (CID 79089648) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine is CC(Nn1cccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine?
The InChIKey is OTEBXMQDABZREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11(15-16-6-2-3-7-16)12-4-5-13-14(10-12)18-9-8-17-13/h2-7,10-11,15H,8-9H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine has a molecular weight of 244.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine is sourced from PubChem (CID 79089648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).