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

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Related Compounds

2-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-4-methylaniline
CID 63418639
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline
CID 63423744
N-pentan-3-yl-2,4-di(propan-2-yl)aniline
CID 43693580
methyl 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbenzoate
CID 61000927
4-[1-(5-bromothiophen-2-yl)ethylamino]-2,5-dimethylphenol
CID 106953509
6-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63426677
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyl-4-nitroaniline
CID 54897980
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline
CID 63422945
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 114052002
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 63422025
4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide
CID 61001055
2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline
CID 107597590

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).