2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine

C8H12BrNOS — CID 117240735

IUPAC2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine
SMILESCOCC(CN)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNOS/c1-11-5-6(4-10)7-2-3-8(9)12-7/h2-3,6H,4-5,10H2,1H3
InChIKeyINQXTXLFHDOINQ-UHFFFAOYSA-N
MW250.16 g/mol
LogP2.20
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine

2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine (PubChem CID 117240735) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine
PubChem CID117240735
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC Name2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine
SMILESCOCC(CN)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNOS/c1-11-5-6(4-10)7-2-3-8(9)12-7/h2-3,6H,4-5,10H2,1H3
InChIKeyINQXTXLFHDOINQ-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine
CID 83824574
tert-butyl 4-amino-3-(5-bromothiophen-2-yl)butanoate
CID 165488630
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047343
1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 55000952
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
(5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43384444
1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945742
3-methoxy-2-phenylpropan-1-amine
CID 66968828
2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 83986369
1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913500
methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
CID 130055189
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine (CID 117240735) is 2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine is COCC(CN)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine?
The InChIKey is INQXTXLFHDOINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c1-11-5-6(4-10)7-2-3-8(9)12-7/h2-3,6H,4-5,10H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine?
2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine has a molecular weight of 250.16 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 117240735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).