1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine

C17H24N2O3 — CID 56812587

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine
SMILESCOc1cc(CNCC2CCN(C3CC3)C2)cc2c1OCO2
InChIInChI=1S/C17H24N2O3/c1-20-15-6-13(7-16-17(15)22-11-21-16)9-18-8-12-4-5-19(10-12)14-2-3-14/h6-7,12,14,18H,2-5,8-11H2,1H3
InChIKeyLFZLKXOKWPUIRR-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.00
Rot. Bonds6

About 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine

1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine (PubChem CID 56812587) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine
PubChem CID56812587
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine
SMILESCOc1cc(CNCC2CCN(C3CC3)C2)cc2c1OCO2
InChIInChI=1S/C17H24N2O3/c1-20-15-6-13(7-16-17(15)22-11-21-16)9-18-8-12-4-5-19(10-12)14-2-3-14/h6-7,12,14,18H,2-5,8-11H2,1H3
InChIKeyLFZLKXOKWPUIRR-UHFFFAOYSA-N
XLogP2.00
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine 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

4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 106124710
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411697
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxan-3-yl)methanamine
CID 115587274
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626267
[2-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-1,4-diazabicyclo[3.2.1]octan-4-yl]-phenylmethanone
CID 75396212
1-cyclobutyl-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]methanamine
CID 60790517
2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethanol
CID 115572492
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 134686709
1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 93302744
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]heptane-1,7-diamine
CID 53484108
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 124690614
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115592517

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine (CID 56812587) is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine is COc1cc(CNCC2CCN(C3CC3)C2)cc2c1OCO2.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine?
The InChIKey is LFZLKXOKWPUIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-20-15-6-13(7-16-17(15)22-11-21-16)9-18-8-12-4-5-19(10-12)14-2-3-14/h6-7,12,14,18H,2-5,8-11H2,1H3.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine?
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine has a molecular weight of 304.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine is sourced from PubChem (CID 56812587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).