N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine

C15H17BrFNS — CID 79707012

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)N(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H17BrFNS/c1-11(6-15-4-3-5-19-15)18(2)10-12-7-13(16)9-14(17)8-12/h3-5,7-9,11H,6,10H2,1-2H3
InChIKeyDPLMWUKVIAEBEA-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.71
Rot. Bonds5

About N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine

N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine (PubChem CID 79707012) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
PubChem CID79707012
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)N(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H17BrFNS/c1-11(6-15-4-3-5-19-15)18(2)10-12-7-13(16)9-14(17)8-12/h3-5,7-9,11H,6,10H2,1-2H3
InChIKeyDPLMWUKVIAEBEA-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485743
[2-fluoro-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 79489167
2-N-[(3-bromo-5-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924830
N-[(4-bromo-3-nitrophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 115557815
N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine
CID 79706560
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485851
4-fluoro-3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]benzenecarbothioamide
CID 79477781
N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 79491740
6-methyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]pyrimidin-4-amine
CID 80657795
N-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]pyridin-2-amine
CID 79486431
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine (CID 79707012) is N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)N(C)Cc1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
The InChIKey is DPLMWUKVIAEBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-11(6-15-4-3-5-19-15)18(2)10-12-7-13(16)9-14(17)8-12/h3-5,7-9,11H,6,10H2,1-2H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine has a molecular weight of 342.28 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 79707012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).