1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine

C15H21NO3 — CID 103802463

IUPAC1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
SMILESCOCCC1(CNCc2cccc3c2OCO3)CC1
InChIInChI=1S/C15H21NO3/c1-17-8-7-15(5-6-15)10-16-9-12-3-2-4-13-14(12)19-11-18-13/h2-4,16H,5-11H2,1H3
InChIKeyUALDVJDSSRBEOZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.32
Rot. Bonds7

About 1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine

1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine (PubChem CID 103802463) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
PubChem CID103802463
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
SMILESCOCCC1(CNCc2cccc3c2OCO3)CC1
InChIInChI=1S/C15H21NO3/c1-17-8-7-15(5-6-15)10-16-9-12-3-2-4-13-14(12)19-11-18-13/h2-4,16H,5-11H2,1H3
InChIKeyUALDVJDSSRBEOZ-UHFFFAOYSA-N
XLogP2.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802353
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415496
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 115281056
3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline
CID 114112981
1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine
CID 82711940
1-(1H-indol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802406
1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802264
N-(1,3-benzodioxol-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 54957908
1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
CID 82710463
N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine
CID 60888930
N-(1,3-benzodioxol-4-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451647
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802392

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine (CID 103802463) is 1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine is COCCC1(CNCc2cccc3c2OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The InChIKey is UALDVJDSSRBEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-8-7-15(5-6-15)10-16-9-12-3-2-4-13-14(12)19-11-18-13/h2-4,16H,5-11H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine has a molecular weight of 263.34 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine is sourced from PubChem (CID 103802463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).