1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine

C16H21BrN2O — CID 62462530

IUPAC1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN(C)Cc2cccc(Br)c2)oc1C
InChIInChI=1S/C16H21BrN2O/c1-12-14(9-18-2)8-16(20-12)11-19(3)10-13-5-4-6-15(17)7-13/h4-8,18H,9-11H2,1-3H3
InChIKeyRTHIMHAHAHDHBS-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.70
Rot. Bonds6

About 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine

1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine (PubChem CID 62462530) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine
PubChem CID62462530
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN(C)Cc2cccc(Br)c2)oc1C
InChIInChI=1S/C16H21BrN2O/c1-12-14(9-18-2)8-16(20-12)11-19(3)10-13-5-4-6-15(17)7-13/h4-8,18H,9-11H2,1-3H3
InChIKeyRTHIMHAHAHDHBS-UHFFFAOYSA-N
XLogP3.70
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(3-bromophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727647
N,N,N'-trimethyl-N'-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 55228334
N-methyl-1-[2-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]furan-3-yl]methanamine
CID 62463336
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62462712
2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine
CID 55073567
N-[(3-bromophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62134209
N-[[2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 62419219
4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62434933
N-[[5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62411119
N-ethyl-3-fluoro-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62428658
N-[[2-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431962
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463601

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine (CID 62462530) is 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine is CNCc1cc(CN(C)Cc2cccc(Br)c2)oc1C.
What is the InChIKey of 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The InChIKey is RTHIMHAHAHDHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-12-14(9-18-2)8-16(20-12)11-19(3)10-13-5-4-6-15(17)7-13/h4-8,18H,9-11H2,1-3H3.
What are the key properties of 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine has a molecular weight of 337.26 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62462530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).