3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol

C10H15BrClNO2S — CID 103527358

IUPAC3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCc1cc(Br)c(Cl)s1
InChIInChI=1S/C10H15BrClNO2S/c1-15-6-7(2-3-14)13-5-8-4-9(11)10(12)16-8/h4,7,13-14H,2-3,5-6H2,1H3
InChIKeyFLASCQMTDSIYLM-UHFFFAOYSA-N
MW328.66 g/mol
LogP2.65
Rot. Bonds7

About 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol

3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol (PubChem CID 103527358) has the molecular formula C10H15BrClNO2S and a molecular weight of 328.66 g/mol. Its IUPAC name is 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol
PubChem CID103527358
Molecular FormulaC10H15BrClNO2S
Molecular Weight328.66 g/mol
Exact Mass326.97
IUPAC Name3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCc1cc(Br)c(Cl)s1
InChIInChI=1S/C10H15BrClNO2S/c1-15-6-7(2-3-14)13-5-8-4-9(11)10(12)16-8/h4,7,13-14H,2-3,5-6H2,1H3
InChIKeyFLASCQMTDSIYLM-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.66
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-1-methoxybutan-2-ol
CID 103527593
3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol
CID 103816323
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
CID 102829960
3-[(4-bromo-3-fluorophenyl)methylamino]-4-methoxybutan-1-ol
CID 103773727
3-[(2-chloro-4-fluorophenyl)methylamino]-4-methoxybutan-1-ol
CID 103793171
3-bromo-4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]benzoic acid
CID 114152128
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 102837874
3-[(4,5-dibromothiophen-2-yl)methylamino]butan-1-ol
CID 102837210
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine
CID 103390035
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol
CID 113243238
4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 103527434

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol (CID 103527358) is 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol is COCC(CCO)NCc1cc(Br)c(Cl)s1.
What is the InChIKey of 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol?
The InChIKey is FLASCQMTDSIYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClNO2S/c1-15-6-7(2-3-14)13-5-8-4-9(11)10(12)16-8/h4,7,13-14H,2-3,5-6H2,1H3.
What are the key properties of 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol?
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol has a molecular weight of 328.66 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol is sourced from PubChem (CID 103527358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).