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

C17H21BrN2O — CID 62463416

IUPACN-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCN(Cc1cccc(Br)c1)Cc1ccoc1CNC1CC1
InChIInChI=1S/C17H21BrN2O/c1-20(11-13-3-2-4-15(18)9-13)12-14-7-8-21-17(14)10-19-16-5-6-16/h2-4,7-9,16,19H,5-6,10-12H2,1H3
InChIKeyONRHXEUWQQHGQW-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.93
Rot. Bonds7

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

N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62463416) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62463416
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCN(Cc1cccc(Br)c1)Cc1ccoc1CNC1CC1
InChIInChI=1S/C17H21BrN2O/c1-20(11-13-3-2-4-15(18)9-13)12-14-7-8-21-17(14)10-19-16-5-6-16/h2-4,7-9,16,19H,5-6,10-12H2,1H3
InChIKeyONRHXEUWQQHGQW-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462355
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 62435496
N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62447659
N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62413219
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62426832
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethyl-3-methylaniline
CID 62426937
N-[[3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 79313428
N-[[5-[[methyl-[[2-(methylaminomethyl)furan-3-yl]methyl]amino]methyl]furan-3-yl]methyl]cyclopentanamine
CID 123405857
N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62293133
N-[[3-[(3-ethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62450134
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 62428787
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethylcyclopentanamine
CID 62422317

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine (CID 62463416) is N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine is CN(Cc1cccc(Br)c1)Cc1ccoc1CNC1CC1.
What is the InChIKey of N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is ONRHXEUWQQHGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-20(11-13-3-2-4-15(18)9-13)12-14-7-8-21-17(14)10-19-16-5-6-16/h2-4,7-9,16,19H,5-6,10-12H2,1H3.
What are the key properties of N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-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-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62463416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).