N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline

C14H16BrNS — CID 55193368

IUPACN-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline
SMILESCc1cc(C)cc(N(C)Cc2cc(Br)cs2)c1
InChIInChI=1S/C14H16BrNS/c1-10-4-11(2)6-13(5-10)16(3)8-14-7-12(15)9-17-14/h4-7,9H,8H2,1-3H3
InChIKeyBINCXPXXRDXYGN-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.76
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline

N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline (PubChem CID 55193368) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline
PubChem CID55193368
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline
SMILESCc1cc(C)cc(N(C)Cc2cc(Br)cs2)c1
InChIInChI=1S/C14H16BrNS/c1-10-4-11(2)6-13(5-10)16(3)8-14-7-12(15)9-17-14/h4-7,9H,8H2,1-3H3
InChIKeyBINCXPXXRDXYGN-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 114065802
4-[(4-bromothiophen-2-yl)methyl-methylamino]benzenecarbothioamide
CID 54984665
4-N-[(4-bromothiophen-2-yl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123925
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623899
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline
CID 113295412
N-[(4-bromothiophen-2-yl)methyl]-4-[(tert-butylamino)methyl]-N-methylaniline
CID 63550999
4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-methylbenzonitrile
CID 54984570
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(propylaminomethyl)aniline
CID 63551376
4-[(4-bromothiophen-2-yl)methyl-methylamino]-2-chlorobenzonitrile
CID 63512149
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63566486
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine
CID 63729831
5-amino-3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylbenzenesulfonamide
CID 79900394

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline (CID 55193368) is N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline is Cc1cc(C)cc(N(C)Cc2cc(Br)cs2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline?
The InChIKey is BINCXPXXRDXYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-4-11(2)6-13(5-10)16(3)8-14-7-12(15)9-17-14/h4-7,9H,8H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline?
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline has a molecular weight of 310.26 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline is sourced from PubChem (CID 55193368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).