(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine

C10H13BrClNOS — CID 80530693

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H13BrClNOS/c1-5-6(2-3-14-5)9(13)8-4-7(12)10(11)15-8/h4-6,9H,2-3,13H2,1H3
InChIKeyLOHHWZSEPYSRGN-UHFFFAOYSA-N
MW310.64 g/mol
LogP3.59
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine (PubChem CID 80530693) has the molecular formula C10H13BrClNOS and a molecular weight of 310.64 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
PubChem CID80530693
Molecular FormulaC10H13BrClNOS
Molecular Weight310.64 g/mol
Exact Mass308.96
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H13BrClNOS/c1-5-6(2-3-14-5)9(13)8-4-7(12)10(11)15-8/h4-6,9H,2-3,13H2,1H3
InChIKeyLOHHWZSEPYSRGN-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115801573
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164
(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
CID 81156780
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115851414
(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 115797335
(4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80533050
(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105011945
(5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine
CID 104519017
(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine
CID 79759527
3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane
CID 79763708
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 79762717
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 80530869

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine (CID 80530693) is (5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine is CC1OCCC1C(N)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine?
The InChIKey is LOHHWZSEPYSRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNOS/c1-5-6(2-3-14-5)9(13)8-4-7(12)10(11)15-8/h4-6,9H,2-3,13H2,1H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine has a molecular weight of 310.64 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 80530693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).