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

C15H18BrNS — CID 107354041

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline
SMILESCCCc1ccccc1NC(C)c1cc(Br)cs1
InChIInChI=1S/C15H18BrNS/c1-3-6-12-7-4-5-8-14(12)17-11(2)15-9-13(16)10-18-15/h4-5,7-11,17H,3,6H2,1-2H3
InChIKeyRTARWVZLDVILSZ-UHFFFAOYSA-N
MW324.29 g/mol
LogP5.64
Rot. Bonds5

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

N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline (PubChem CID 107354041) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline
PubChem CID107354041
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline
SMILESCCCc1ccccc1NC(C)c1cc(Br)cs1
InChIInChI=1S/C15H18BrNS/c1-3-6-12-7-4-5-8-14(12)17-11(2)15-9-13(16)10-18-15/h4-5,7-11,17H,3,6H2,1-2H3
InChIKeyRTARWVZLDVILSZ-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline
CID 107354158
N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline
CID 107167652
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 107354018
N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
CID 107354017
N-[1-(2-bromophenyl)ethyl]-2-propylaniline
CID 43687403
N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 107354221
N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 107354051
1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
CID 107353847
N-[1-(4-bromothiophen-2-yl)ethyl]-4-propoxyaniline
CID 107354355
N-[1-(4-bromothiophen-2-yl)ethyl]-4-pentylaniline
CID 107353898
2-propyl-N-(1-pyridin-4-ylethyl)aniline
CID 43687389
3-[1-(2-propylanilino)ethyl]phenol
CID 43687423

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline (CID 107354041) is N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline is CCCc1ccccc1NC(C)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline?
The InChIKey is RTARWVZLDVILSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-3-6-12-7-4-5-8-14(12)17-11(2)15-9-13(16)10-18-15/h4-5,7-11,17H,3,6H2,1-2H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline?
N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline has a molecular weight of 324.29 g/mol, XLogP of 5.64, 5 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-propylaniline is sourced from PubChem (CID 107354041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).