[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine

C14H16BrFN2S — CID 107878267

IUPAC[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine
SMILESCN(Cc1ccc(F)c(CN)c1)Cc1cc(Br)cs1
InChIInChI=1S/C14H16BrFN2S/c1-18(8-13-5-12(15)9-19-13)7-10-2-3-14(16)11(4-10)6-17/h2-5,9H,6-8,17H2,1H3
InChIKeyFGFPIOJPBIFLRS-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.74
Rot. Bonds5

About [5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine

[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine (PubChem CID 107878267) has the molecular formula C14H16BrFN2S and a molecular weight of 343.27 g/mol. Its IUPAC name is [5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine
PubChem CID107878267
Molecular FormulaC14H16BrFN2S
Molecular Weight343.27 g/mol
Exact Mass342.02
IUPAC Name[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine
SMILESCN(Cc1ccc(F)c(CN)c1)Cc1cc(Br)cs1
InChIInChI=1S/C14H16BrFN2S/c1-18(8-13-5-12(15)9-19-13)7-10-2-3-14(16)11(4-10)6-17/h2-5,9H,6-8,17H2,1H3
InChIKeyFGFPIOJPBIFLRS-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine with MolForge

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Related Compounds

4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluoroaniline
CID 63189170
N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 63458325
N-[(4-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 54942400
[2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 114011948
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorobenzoic acid
CID 106699183
[4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213240
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline
CID 113295412
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide
CID 105351841
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-2,3-difluoro-N-methylaniline
CID 107932817
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 114011973
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 107878095
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
CID 107878648

Frequently Asked Questions

What is the IUPAC name of [5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine (CID 107878267) is [5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine is CN(Cc1ccc(F)c(CN)c1)Cc1cc(Br)cs1.
What is the InChIKey of [5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine?
The InChIKey is FGFPIOJPBIFLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2S/c1-18(8-13-5-12(15)9-19-13)7-10-2-3-14(16)11(4-10)6-17/h2-5,9H,6-8,17H2,1H3.
What are the key properties of [5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine?
[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine has a molecular weight of 343.27 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107878267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).