N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine

C15H19BrN2OS — CID 62431329

IUPACN-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCN(Cc1ccc(CNC2CC2)o1)Cc1cc(Br)cs1
InChIInChI=1S/C15H19BrN2OS/c1-18(9-15-6-11(16)10-20-15)8-14-5-4-13(19-14)7-17-12-2-3-12/h4-6,10,12,17H,2-3,7-9H2,1H3
InChIKeyYNVUKEAYFATNNW-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.99
Rot. Bonds7

About N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62431329) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62431329
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC NameN-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCN(Cc1ccc(CNC2CC2)o1)Cc1cc(Br)cs1
InChIInChI=1S/C15H19BrN2OS/c1-18(9-15-6-11(16)10-20-15)8-14-5-4-13(19-14)7-17-12-2-3-12/h4-6,10,12,17H,2-3,7-9H2,1H3
InChIKeyYNVUKEAYFATNNW-UHFFFAOYSA-N
XLogP3.99
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine (CID 62431329) is N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine is CN(Cc1ccc(CNC2CC2)o1)Cc1cc(Br)cs1.
What is the InChIKey of N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is YNVUKEAYFATNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-18(9-15-6-11(16)10-20-15)8-14-5-4-13(19-14)7-17-12-2-3-12/h4-6,10,12,17H,2-3,7-9H2,1H3.
What are the key properties of N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 355.30 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62431329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).