1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine

C14H16N2O2 — CID 170865026

IUPAC1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1-c1ccc2c(c1)OCO2
InChIInChI=1S/C14H16N2O2/c1-10(15)7-11-3-2-6-16(11)12-4-5-13-14(8-12)18-9-17-13/h2-6,8,10H,7,9,15H2,1H3
InChIKeySDWIBYLGRPSDHD-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.10
Rot. Bonds3

About 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine

1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine (PubChem CID 170865026) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine
PubChem CID170865026
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1-c1ccc2c(c1)OCO2
InChIInChI=1S/C14H16N2O2/c1-10(15)7-11-3-2-6-16(11)12-4-5-13-14(8-12)18-9-17-13/h2-6,8,10H,7,9,15H2,1H3
InChIKeySDWIBYLGRPSDHD-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[1,3-benzodioxol-5-ylmethyl-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]amino]propan-2-ol
CID 51495593
1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
1-(1,3-benzodioxol-5-yl)-2-oxopyridine-3-carboxylic acid
CID 82121117
(1S,2R)-2-amino-1-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93258024
(1S)-1-(1,3-benzodioxol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 129367476
1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole
CID 82133808
1-(1,3-benzodioxol-5-ylmethylsulfanyl)propan-2-amine
CID 66218496
2-[1-(1,3-benzodioxol-5-yl)imidazol-2-yl]sulfanylacetamide
CID 94700017
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propan-2-amine
CID 22689438
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-methylbutan-2-amine
CID 82080454
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917
1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine (CID 170865026) is 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine is CC(N)Cc1cccn1-c1ccc2c(c1)OCO2.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine?
The InChIKey is SDWIBYLGRPSDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(15)7-11-3-2-6-16(11)12-4-5-13-14(8-12)18-9-17-13/h2-6,8,10H,7,9,15H2,1H3.
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine?
1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine has a molecular weight of 244.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 170865026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).