N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine

C14H19BrN2OS — CID 62461191

IUPACN-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1CN(C)Cc1csc(Br)c1
InChIInChI=1S/C14H19BrN2OS/c1-3-16-7-13-12(4-5-18-13)9-17(2)8-11-6-14(15)19-10-11/h4-6,10,16H,3,7-9H2,1-2H3
InChIKeyITUOOVZREKSVOQ-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.85
Rot. Bonds7

About N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine

N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62461191) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
PubChem CID62461191
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC NameN-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1CN(C)Cc1csc(Br)c1
InChIInChI=1S/C14H19BrN2OS/c1-3-16-7-13-12(4-5-18-13)9-17(2)8-11-6-14(15)19-10-11/h4-6,10,16H,3,7-9H2,1-2H3
InChIKeyITUOOVZREKSVOQ-UHFFFAOYSA-N
XLogP3.85
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462608
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
CID 62426653
N-[(5-bromothiophen-3-yl)methyl]-N'-ethyl-N-methyl-2-methylidenepropane-1,3-diamine
CID 103069893
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]ethanamine
CID 62438666
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 62435493
N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62411816
N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62413581
N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 63026364
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556552
methyl 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophene-2-carboxylate
CID 71855938
1-[(5-bromothiophen-3-yl)methyl-methylamino]butan-2-one
CID 62039108
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-methylcyclopentanamine
CID 55074631

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine (CID 62461191) is N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine is CCNCc1occc1CN(C)Cc1csc(Br)c1.
What is the InChIKey of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is ITUOOVZREKSVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-3-16-7-13-12(4-5-18-13)9-17(2)8-11-6-14(15)19-10-11/h4-6,10,16H,3,7-9H2,1-2H3.
What are the key properties of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine?
N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 343.29 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62461191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).