N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine

C17H22BrNS — CID 107354090

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NC(C)c2cc(Br)cs2)cc1
InChIInChI=1S/C17H22BrNS/c1-11(2)14-5-7-15(8-6-14)12(3)19-13(4)17-9-16(18)10-20-17/h5-13,19H,1-4H3
InChIKeyHZVFLKFIRVWTSA-UHFFFAOYSA-N
MW352.34 g/mol
LogP6.05
Rot. Bonds5

About N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine

N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 107354090) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID107354090
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NC(C)c2cc(Br)cs2)cc1
InChIInChI=1S/C17H22BrNS/c1-11(2)14-5-7-15(8-6-14)12(3)19-13(4)17-9-16(18)10-20-17/h5-13,19H,1-4H3
InChIKeyHZVFLKFIRVWTSA-UHFFFAOYSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-[1-(4-bromothiophen-2-yl)ethyl]ethanamine
CID 107354175
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
(1R)-N-[1-(4-bromothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 107354466
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 107354180
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
N-[(4-bromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223373
2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol
CID 107167453
1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 107167357

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine (CID 107354090) is N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)NC(C)c2cc(Br)cs2)cc1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is HZVFLKFIRVWTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-11(2)14-5-7-15(8-6-14)12(3)19-13(4)17-9-16(18)10-20-17/h5-13,19H,1-4H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine?
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 352.34 g/mol, XLogP of 6.05, 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]-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 107354090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).