N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline

C15H19BrN2S — CID 107167652

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline
SMILESCC(Nc1ccccc1CN(C)C)c1cc(Br)cs1
InChIInChI=1S/C15H19BrN2S/c1-11(15-8-13(16)10-19-15)17-14-7-5-4-6-12(14)9-18(2)3/h4-8,10-11,17H,9H2,1-3H3
InChIKeyDJSKDSCJVQLQRK-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.75
Rot. Bonds5

About N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline

N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline (PubChem CID 107167652) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline
PubChem CID107167652
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline
SMILESCC(Nc1ccccc1CN(C)C)c1cc(Br)cs1
InChIInChI=1S/C15H19BrN2S/c1-11(15-8-13(16)10-19-15)17-14-7-5-4-6-12(14)9-18(2)3/h4-8,10-11,17H,9H2,1-3H3
InChIKeyDJSKDSCJVQLQRK-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-propylaniline
CID 107354041
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 107354018
N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
CID 107354017
N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 107354221
2-[(dimethylamino)methyl]-N-(1-pyridin-4-ylethyl)aniline
CID 43750176
N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 107354051
2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline
CID 43750131
1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
CID 107353847
N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline
CID 43750075
2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43750190
2-[(dimethylamino)methyl]-N-pentan-2-ylaniline
CID 43750163

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline (CID 107167652) is N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline is CC(Nc1ccccc1CN(C)C)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline?
The InChIKey is DJSKDSCJVQLQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-11(15-8-13(16)10-19-15)17-14-7-5-4-6-12(14)9-18(2)3/h4-8,10-11,17H,9H2,1-3H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline?
N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline has a molecular weight of 339.30 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 107167652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).