N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine

C15H18BrNS — CID 79485743

IUPACN-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H18BrNS/c1-12(9-15-7-4-8-18-15)17(2)11-13-5-3-6-14(16)10-13/h3-8,10,12H,9,11H2,1-2H3
InChIKeyCRHYOUNIRUWETO-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.57
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine

N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine (PubChem CID 79485743) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
PubChem CID79485743
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H18BrNS/c1-12(9-15-7-4-8-18-15)17(2)11-13-5-3-6-14(16)10-13/h3-8,10,12H,9,11H2,1-2H3
InChIKeyCRHYOUNIRUWETO-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79707012
1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 60646316
N-[(4-bromo-3-nitrophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 115557815
[2-fluoro-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 79489167
3-[(3-bromophenyl)methyl-methylamino]butanoic acid
CID 61416059
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
1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol
CID 82970659
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-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine (CID 79485743) is N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)N(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
The InChIKey is CRHYOUNIRUWETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-12(9-15-7-4-8-18-15)17(2)11-13-5-3-6-14(16)10-13/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine has a molecular weight of 324.29 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 79485743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).