1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine

C16H19N3O2 — CID 66162904

IUPAC1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cncn1C1CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N3O2/c1-11(12-2-5-15-16(6-12)21-10-20-15)18-8-14-7-17-9-19(14)13-3-4-13/h2,5-7,9,11,13,18H,3-4,8,10H2,1H3
InChIKeyCFUUOPSDMRYRHP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.80
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine

1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine (PubChem CID 66162904) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
PubChem CID66162904
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cncn1C1CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N3O2/c1-11(12-2-5-15-16(6-12)21-10-20-15)18-8-14-7-17-9-19(14)13-3-4-13/h2,5-7,9,11,13,18H,3-4,8,10H2,1H3
InChIKeyCFUUOPSDMRYRHP-UHFFFAOYSA-N
XLogP2.80
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 81351919
1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]methanamine
CID 66161878
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 66162293
(1S)-1-(1,3-benzodioxol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 129367476
(1R)-1-(1,3-benzodioxol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 93263726
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 66140201
1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762166
1-(1,3-benzodioxol-5-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66413948
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 113348615
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
CID 29083160

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine (CID 66162904) is 1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine is CC(NCc1cncn1C1CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine?
The InChIKey is CFUUOPSDMRYRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(12-2-5-15-16(6-12)21-10-20-15)18-8-14-7-17-9-19(14)13-3-4-13/h2,5-7,9,11,13,18H,3-4,8,10H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine?
1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine has a molecular weight of 285.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66162904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).