(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine

C7H10BrNS — CID 95366093

IUPAC(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
SMILESCN[C@@H](C)c1cc(Br)cs1
InChIInChI=1S/C7H10BrNS/c1-5(9-2)7-3-6(8)4-10-7/h3-5,9H,1-2H3/t5-/m0/s1
InChIKeyMIAZSWAYGYRODK-YFKPBYRVSA-N
MW220.14 g/mol
LogP2.79
Rot. Bonds2

About (1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine

(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine (PubChem CID 95366093) has the molecular formula C7H10BrNS and a molecular weight of 220.14 g/mol. Its IUPAC name is (1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
PubChem CID95366093
Molecular FormulaC7H10BrNS
Molecular Weight220.14 g/mol
Exact Mass218.97
IUPAC Name(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
SMILESCN[C@@H](C)c1cc(Br)cs1
InChIInChI=1S/C7H10BrNS/c1-5(9-2)7-3-6(8)4-10-7/h3-5,9H,1-2H3/t5-/m0/s1
InChIKeyMIAZSWAYGYRODK-YFKPBYRVSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
CID 107167098
N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine
CID 107167565
4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline
CID 107354261
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
1-(4-bromothiophen-2-yl)ethanol
CID 12792392
N-[1-(4-bromothiophen-2-yl)ethyl]oxan-4-amine
CID 107167286
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 107354090
1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949880
3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 107167314

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine?
The IUPAC name of (1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine (CID 95366093) is (1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for (1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for (1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine is CN[C@@H](C)c1cc(Br)cs1.
What is the InChIKey of (1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine?
The InChIKey is MIAZSWAYGYRODK-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-5(9-2)7-3-6(8)4-10-7/h3-5,9H,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine?
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine has a molecular weight of 220.14 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 95366093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).