1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine

C15H13F2NO2 — CID 9115190

IUPAC1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCc2ccc3c(c2)OCO3)c(F)c1
InChIInChI=1S/C15H13F2NO2/c16-12-3-2-11(13(17)6-12)8-18-7-10-1-4-14-15(5-10)20-9-19-14/h1-6,18H,7-9H2
InChIKeyGUGKLXLWOYXEEG-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.98
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine

1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine (PubChem CID 9115190) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine
PubChem CID9115190
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCc2ccc3c(c2)OCO3)c(F)c1
InChIInChI=1S/C15H13F2NO2/c16-12-3-2-11(13(17)6-12)8-18-7-10-1-4-14-15(5-10)20-9-19-14/h1-6,18H,7-9H2
InChIKeyGUGKLXLWOYXEEG-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 45074881
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28617291
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)methanamine;hydrobromide
CID 75531515
N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide
CID 4280921
1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-6-fluorophenyl)methyl]methanamine
CID 4718013
N-(1,3-benzodioxol-5-ylmethyl)-2-fluoroethanamine
CID 80695679
1-(1,3-benzodioxol-5-yl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 4718012
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine
CID 738604
1-(1,3-benzodioxol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 3769404
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997703
N'-(1,3-benzodioxol-5-ylmethyl)propane-1,3-diamine
CID 60890082
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide
CID 108998869

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine (CID 9115190) is 1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine is Fc1ccc(CNCc2ccc3c(c2)OCO3)c(F)c1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine?
The InChIKey is GUGKLXLWOYXEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c16-12-3-2-11(13(17)6-12)8-18-7-10-1-4-14-15(5-10)20-9-19-14/h1-6,18H,7-9H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine?
1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine has a molecular weight of 277.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 9115190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).