N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline

C18H24BrNS — CID 63434709

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline
SMILESCC(C)c1ccc(NC(C)c2ccc(Br)s2)c(C(C)C)c1
InChIInChI=1S/C18H24BrNS/c1-11(2)14-6-7-16(15(10-14)12(3)4)20-13(5)17-8-9-18(19)21-17/h6-13,20H,1-5H3
InChIKeyQTRLKFDGKJHUIW-UHFFFAOYSA-N
MW366.37 g/mol
LogP6.93
Rot. Bonds5

About N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline

N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline (PubChem CID 63434709) has the molecular formula C18H24BrNS and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline
PubChem CID63434709
Molecular FormulaC18H24BrNS
Molecular Weight366.37 g/mol
Exact Mass365.08
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline
SMILESCC(C)c1ccc(NC(C)c2ccc(Br)s2)c(C(C)C)c1
InChIInChI=1S/C18H24BrNS/c1-11(2)14-6-7-16(15(10-14)12(3)4)20-13(5)17-8-9-18(19)21-17/h6-13,20H,1-5H3
InChIKeyQTRLKFDGKJHUIW-UHFFFAOYSA-N
XLogP6.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline (CID 63434709) is N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline is CC(C)c1ccc(NC(C)c2ccc(Br)s2)c(C(C)C)c1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline?
The InChIKey is QTRLKFDGKJHUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNS/c1-11(2)14-6-7-16(15(10-14)12(3)4)20-13(5)17-8-9-18(19)21-17/h6-13,20H,1-5H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline?
N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline has a molecular weight of 366.37 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline is sourced from PubChem (CID 63434709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).