N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine

C17H21BrN2O — CID 62462355

IUPACN-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCN(Cc1cccc(Br)c1)Cc1occc1CNC1CC1
InChIInChI=1S/C17H21BrN2O/c1-20(11-13-3-2-4-15(18)9-13)12-17-14(7-8-21-17)10-19-16-5-6-16/h2-4,7-9,16,19H,5-6,10-12H2,1H3
InChIKeyDKHSUXTWFKRNDQ-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.93
Rot. Bonds7

About N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine

N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62462355) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62462355
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCN(Cc1cccc(Br)c1)Cc1occc1CNC1CC1
InChIInChI=1S/C17H21BrN2O/c1-20(11-13-3-2-4-15(18)9-13)12-17-14(7-8-21-17)10-19-16-5-6-16/h2-4,7-9,16,19H,5-6,10-12H2,1H3
InChIKeyDKHSUXTWFKRNDQ-UHFFFAOYSA-N
XLogP3.93
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62463416
N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63701262
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62854572
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62411488
N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62428885
N-[[2-[[methyl(2-methylbutan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63967417
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63683744
N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436711
N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62293133
N-[[2-[[ethyl(propyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62421778
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 62435496
N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 79311434

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine (CID 62462355) is N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine is CN(Cc1cccc(Br)c1)Cc1occc1CNC1CC1.
What is the InChIKey of N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is DKHSUXTWFKRNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-20(11-13-3-2-4-15(18)9-13)12-17-14(7-8-21-17)10-19-16-5-6-16/h2-4,7-9,16,19H,5-6,10-12H2,1H3.
What are the key properties of N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 349.27 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62462355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).