1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol

C8H12BrNOS — CID 116859412

IUPAC1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(Br)s1)C(C)O
InChIInChI=1S/C8H12BrNOS/c1-5(11)8(10-2)6-3-4-7(9)12-6/h3-5,8,10-11H,1-2H3
InChIKeyOPPDXRQFKXWRMH-UHFFFAOYSA-N
MW250.16 g/mol
LogP2.15
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol

1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol (PubChem CID 116859412) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol
PubChem CID116859412
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC Name1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(Br)s1)C(C)O
InChIInChI=1S/C8H12BrNOS/c1-5(11)8(10-2)6-3-4-7(9)12-6/h3-5,8,10-11H,1-2H3
InChIKeyOPPDXRQFKXWRMH-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine
CID 66448712
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-1-amine
CID 43480389
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
1-(5-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949847
N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine
CID 83694064
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
1-(5-bromothiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480371
1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol
CID 130146184
1-(5-bromothiophen-2-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 61104364
3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol
CID 107770488

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol (CID 116859412) is 1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol is CNC(c1ccc(Br)s1)C(C)O.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol?
The InChIKey is OPPDXRQFKXWRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c1-5(11)8(10-2)6-3-4-7(9)12-6/h3-5,8,10-11H,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol?
1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol has a molecular weight of 250.16 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 116859412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).