N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine

C15H18N2O2 — CID 66416151

IUPACN-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine
SMILESCCn1ccc(CNCc2cccc3c2OCO3)c1
InChIInChI=1S/C15H18N2O2/c1-2-17-7-6-12(10-17)8-16-9-13-4-3-5-14-15(13)19-11-18-14/h3-7,10,16H,2,8-9,11H2,1H3
InChIKeyBAMHMCFIDYTOFY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.53
Rot. Bonds5

About N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine

N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine (PubChem CID 66416151) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine
PubChem CID66416151
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine
SMILESCCn1ccc(CNCc2cccc3c2OCO3)c1
InChIInChI=1S/C15H18N2O2/c1-2-17-7-6-12(10-17)8-16-9-13-4-3-5-14-15(13)19-11-18-14/h3-7,10,16H,2,8-9,11H2,1H3
InChIKeyBAMHMCFIDYTOFY-UHFFFAOYSA-N
XLogP2.53
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-1-(furan-3-yl)methanamine
CID 60980403
1-(1,3-benzodioxol-4-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54897096
N-(1,3-benzodioxol-4-ylmethyl)-3-methylbut-3-en-1-amine
CID 114472123
2-[4-[(1,3-benzodioxol-4-ylmethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830371
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415496
N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine
CID 60888930
1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
CID 82710463
1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine
CID 43583250
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 115281056
1-(1,3-benzodioxol-4-yl)-N-[(2-bromo-4-methylphenyl)methyl]methanamine
CID 115556709
N-(1,3-benzodioxol-4-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451647
N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855681

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine (CID 66416151) is N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine is CCn1ccc(CNCc2cccc3c2OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine?
The InChIKey is BAMHMCFIDYTOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-17-7-6-12(10-17)8-16-9-13-4-3-5-14-15(13)19-11-18-14/h3-7,10,16H,2,8-9,11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine?
N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine has a molecular weight of 258.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrol-3-yl)methanamine is sourced from PubChem (CID 66416151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).