N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine

C16H21BrN2OS — CID 62463688

IUPACN-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1cc(CN(C)Cc2csc(Br)c2)oc1CNC1CC1
InChIInChI=1S/C16H21BrN2OS/c1-11-5-14(20-15(11)7-18-13-3-4-13)9-19(2)8-12-6-16(17)21-10-12/h5-6,10,13,18H,3-4,7-9H2,1-2H3
InChIKeyGVAUPQMOXOYZMU-UHFFFAOYSA-N
MW369.33 g/mol
LogP4.30
Rot. Bonds7

About N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine

N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 62463688) has the molecular formula C16H21BrN2OS and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID62463688
Molecular FormulaC16H21BrN2OS
Molecular Weight369.33 g/mol
Exact Mass368.06
IUPAC NameN-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1cc(CN(C)Cc2csc(Br)c2)oc1CNC1CC1
InChIInChI=1S/C16H21BrN2OS/c1-11-5-14(20-15(11)7-18-13-3-4-13)9-19(2)8-12-6-16(17)21-10-12/h5-6,10,13,18H,3-4,7-9H2,1-2H3
InChIKeyGVAUPQMOXOYZMU-UHFFFAOYSA-N
XLogP4.30
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(dimethylamino)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62418013
N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62440078
N-[[3-methyl-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431361
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391516
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421419
N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431329
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 63940268
N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62260869
1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62461546
N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 115987804
N-[[5-[(cyclopropylamino)methyl]-4-methylfuran-2-yl]methyl]-N-ethylaniline
CID 62424504
N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine
CID 62287412

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine (CID 62463688) is N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine is Cc1cc(CN(C)Cc2csc(Br)c2)oc1CNC1CC1.
What is the InChIKey of N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is GVAUPQMOXOYZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2OS/c1-11-5-14(20-15(11)7-18-13-3-4-13)9-19(2)8-12-6-16(17)21-10-12/h5-6,10,13,18H,3-4,7-9H2,1-2H3.
What are the key properties of N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 369.33 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62463688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).