1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol

C8H12BrNOS — CID 43392242

IUPAC1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol
SMILESCC(O)CNCc1cc(Br)cs1
InChIInChI=1S/C8H12BrNOS/c1-6(11)3-10-4-8-2-7(9)5-12-8/h2,5-6,10-11H,3-4H2,1H3
InChIKeyYLBXRLKYGGBTSM-UHFFFAOYSA-N
MW250.16 g/mol
LogP1.98
Rot. Bonds4

About 1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol

1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol (PubChem CID 43392242) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol
PubChem CID43392242
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC Name1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol
SMILESCC(O)CNCc1cc(Br)cs1
InChIInChI=1S/C8H12BrNOS/c1-6(11)3-10-4-8-2-7(9)5-12-8/h2,5-6,10-11H,3-4H2,1H3
InChIKeyYLBXRLKYGGBTSM-UHFFFAOYSA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol
CID 111422036
1-[(4-bromothiophen-2-yl)methylamino]-3-ethylpentan-2-ol
CID 115621916
1-[(4-bromothiophen-2-yl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60971110
N-[(4-bromothiophen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966671
1-[(4-bromothiophen-2-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60970520
2-[[(4-bromothiophen-2-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122073012
methyl 3-[(4-bromothiophen-2-yl)methylamino]-2-iodopropanoate
CID 103492011
methyl 3-[(4-bromothiophen-2-yl)methylamino]-2-chloropropanoate
CID 103491693
4-[(4-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid
CID 115220747
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
3-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 60762193
(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol
CID 103884123

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol (CID 43392242) is 1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol is CC(O)CNCc1cc(Br)cs1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is YLBXRLKYGGBTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c1-6(11)3-10-4-8-2-7(9)5-12-8/h2,5-6,10-11H,3-4H2,1H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol?
1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol has a molecular weight of 250.16 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 43392242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).