[1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol

C9H11BrClNOS — CID 130513429

IUPAC[1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
SMILESNCC1(C(O)c2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C9H11BrClNOS/c10-5-3-6(14-8(5)11)7(13)9(4-12)1-2-9/h3,7,13H,1-2,4,12H2
InChIKeyOCXVEUPLKRUPMG-UHFFFAOYSA-N
MW296.62 g/mol
LogP2.94
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol

[1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol (PubChem CID 130513429) has the molecular formula C9H11BrClNOS and a molecular weight of 296.62 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
PubChem CID130513429
Molecular FormulaC9H11BrClNOS
Molecular Weight296.62 g/mol
Exact Mass294.94
IUPAC Name[1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
SMILESNCC1(C(O)c2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C9H11BrClNOS/c10-5-3-6(14-8(5)11)7(13)9(4-12)1-2-9/h3,7,13H,1-2,4,12H2
InChIKeyOCXVEUPLKRUPMG-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845379
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol
CID 130553458
[1-(aminomethyl)-3-methylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845386
(4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol
CID 102835170
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
CID 102828032
[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol
CID 79137693
[1-(aminomethyl)cyclobutyl]-(3-bromo-4-chlorophenyl)methanol
CID 83241184
[4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol
CID 79138820
[1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol
CID 79124264
3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene
CID 131002567
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165549
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol (CID 130513429) is [1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol is NCC1(C(O)c2cc(Br)c(Cl)s2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol?
The InChIKey is OCXVEUPLKRUPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNOS/c10-5-3-6(14-8(5)11)7(13)9(4-12)1-2-9/h3,7,13H,1-2,4,12H2.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol?
[1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol has a molecular weight of 296.62 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 130513429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).