1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol

C10H16BrNOS — CID 111422036

IUPAC1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCc1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-7(2)10(13)5-12-4-9-3-8(11)6-14-9/h3,6-7,10,12-13H,4-5H2,1-2H3
InChIKeyDLZPGTKXQDUIBY-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.62
Rot. Bonds5

About 1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol

1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol (PubChem CID 111422036) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol
PubChem CID111422036
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCc1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-7(2)10(13)5-12-4-9-3-8(11)6-14-9/h3,6-7,10,12-13H,4-5H2,1-2H3
InChIKeyDLZPGTKXQDUIBY-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol
CID 43392242
1-[(4-bromothiophen-2-yl)methylamino]-3-ethylpentan-2-ol
CID 115621916
N-[(4-bromothiophen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966671
1-[(4-bromothiophen-2-yl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60971110
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
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
methyl 3-[(4-bromothiophen-2-yl)methylamino]-2-chloropropanoate
CID 103491693
N-[(4-bromothiophen-2-yl)methyl]-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107757286
4-[(4-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid
CID 115220747
3-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 60762193

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol (CID 111422036) is 1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol is CC(C)C(O)CNCc1cc(Br)cs1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol?
The InChIKey is DLZPGTKXQDUIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-7(2)10(13)5-12-4-9-3-8(11)6-14-9/h3,6-7,10,12-13H,4-5H2,1-2H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol?
1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol has a molecular weight of 278.22 g/mol, XLogP of 2.62, 5 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]-3-methylbutan-2-ol is sourced from PubChem (CID 111422036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).