4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline

C14H16BrNS — CID 63449338

IUPAC4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccsc1CNc1c(C)cc(Br)cc1C
InChIInChI=1S/C14H16BrNS/c1-9-4-5-17-13(9)8-16-14-10(2)6-12(15)7-11(14)3/h4-7,16H,8H2,1-3H3
InChIKeyYMIPBLJQSJGJOC-UHFFFAOYSA-N
MW310.26 g/mol
LogP5.05
Rot. Bonds3

About 4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline

4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline (PubChem CID 63449338) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
PubChem CID63449338
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccsc1CNc1c(C)cc(Br)cc1C
InChIInChI=1S/C14H16BrNS/c1-9-4-5-17-13(9)8-16-14-10(2)6-12(15)7-11(14)3/h4-7,16H,8H2,1-3H3
InChIKeyYMIPBLJQSJGJOC-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.26
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452
4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline
CID 43646117
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylaniline
CID 63488263
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124
4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline
CID 63449116
2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine
CID 66385925
3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 107872948
N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine
CID 114051280
3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 104777162
4-N-[(3-methylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486426
4-[(4-bromo-2,6-dimethylanilino)methyl]-2,6-dimethylphenol
CID 63449025
4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 54863650

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline (CID 63449338) is 4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline is Cc1ccsc1CNc1c(C)cc(Br)cc1C.
What is the InChIKey of 4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline?
The InChIKey is YMIPBLJQSJGJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-9-4-5-17-13(9)8-16-14-10(2)6-12(15)7-11(14)3/h4-7,16H,8H2,1-3H3.
What are the key properties of 4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline?
4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline has a molecular weight of 310.26 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 63449338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).