N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine

C15H18BrNS — CID 54863047

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2sccc2Br)cc1
InChIInChI=1S/C15H18BrNS/c1-10-4-6-13(7-5-10)11(2)17-12(3)15-14(16)8-9-18-15/h4-9,11-12,17H,1-3H3
InChIKeyVWHDZMGFSAEBCT-UHFFFAOYSA-N
MW324.29 g/mol
LogP5.23
Rot. Bonds4

About N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine

N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine (PubChem CID 54863047) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
PubChem CID54863047
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2sccc2Br)cc1
InChIInChI=1S/C15H18BrNS/c1-10-4-6-13(7-5-10)11(2)17-12(3)15-14(16)8-9-18-15/h4-9,11-12,17H,1-3H3
InChIKeyVWHDZMGFSAEBCT-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43787401
1-(3-bromo-4-methoxyphenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
CID 43788874
(1S)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81345327
3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol
CID 43791633
(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
CID 81383637
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43786855
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
CID 43775777
1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 54863036
1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 114182320
3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47234202
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43766775

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine (CID 54863047) is N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NC(C)c2sccc2Br)cc1.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is VWHDZMGFSAEBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-10-4-6-13(7-5-10)11(2)17-12(3)15-14(16)8-9-18-15/h4-9,11-12,17H,1-3H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine?
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 324.29 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 54863047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).