N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline

C16H20BrNS — CID 107354017

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
SMILESCC(Nc1ccccc1C(C)(C)C)c1cc(Br)cs1
InChIInChI=1S/C16H20BrNS/c1-11(15-9-12(17)10-19-15)18-14-8-6-5-7-13(14)16(2,3)4/h5-11,18H,1-4H3
InChIKeyCVEJMHSNWIGJFQ-UHFFFAOYSA-N
MW338.31 g/mol
LogP5.98
Rot. Bonds3

About N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline

N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline (PubChem CID 107354017) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
PubChem CID107354017
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
SMILESCC(Nc1ccccc1C(C)(C)C)c1cc(Br)cs1
InChIInChI=1S/C16H20BrNS/c1-11(15-9-12(17)10-19-15)18-14-8-6-5-7-13(14)16(2,3)4/h5-11,18H,1-4H3
InChIKeyCVEJMHSNWIGJFQ-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 107354018
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 107354221
N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline
CID 107354041
4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 107354244
N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline
CID 107167652
N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 107354051
N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline
CID 107354158
2-tert-butyl-N-(1-phenylethyl)aniline
CID 43226869
N-[1-(4-bromothiophen-2-yl)ethyl]-4-methoxy-2-(trifluoromethyl)aniline
CID 107353986
4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline
CID 107354261
2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43682979

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline (CID 107354017) is N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline is CC(Nc1ccccc1C(C)(C)C)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline?
The InChIKey is CVEJMHSNWIGJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS/c1-11(15-9-12(17)10-19-15)18-14-8-6-5-7-13(14)16(2,3)4/h5-11,18H,1-4H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline?
N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline has a molecular weight of 338.31 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline is sourced from PubChem (CID 107354017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).