2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine

C14H16BrNS — CID 81155733

IUPAC2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine
SMILESCc1cc(C)c(C(N)Cc2cccc(Br)c2)s1
InChIInChI=1S/C14H16BrNS/c1-9-6-10(2)17-14(9)13(16)8-11-4-3-5-12(15)7-11/h3-7,13H,8,16H2,1-2H3
InChIKeyGFQFKBOXGOVQPF-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.37
Rot. Bonds3

About 2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine

2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine (PubChem CID 81155733) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine
PubChem CID81155733
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine
SMILESCc1cc(C)c(C(N)Cc2cccc(Br)c2)s1
InChIInChI=1S/C14H16BrNS/c1-9-6-10(2)17-14(9)13(16)8-11-4-3-5-12(15)7-11/h3-7,13H,8,16H2,1-2H3
InChIKeyGFQFKBOXGOVQPF-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine
CID 81156786
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
2-[1-bromo-2-(3-methylphenyl)ethyl]-3,5-dimethylthiophene
CID 81157821
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
5-(3-bromophenyl)-4-methylpentan-2-amine
CID 64719403
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114219129
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 63798481
1-(3-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62601843

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine (CID 81155733) is 2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine is Cc1cc(C)c(C(N)Cc2cccc(Br)c2)s1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine?
The InChIKey is GFQFKBOXGOVQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-9-6-10(2)17-14(9)13(16)8-11-4-3-5-12(15)7-11/h3-7,13H,8,16H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine?
2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 81155733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).