[1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol

C10H13Cl2NOS — CID 115929592

IUPAC[1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol
SMILESCC(NC1(CO)CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NOS/c1-6(13-10(5-14)2-3-10)7-4-8(11)15-9(7)12/h4,6,13-14H,2-3,5H2,1H3
InChIKeySUUZBLDTSBCLRL-UHFFFAOYSA-N
MW266.19 g/mol
LogP3.23
Rot. Bonds4

About [1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol

[1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol (PubChem CID 115929592) has the molecular formula C10H13Cl2NOS and a molecular weight of 266.19 g/mol. Its IUPAC name is [1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol
PubChem CID115929592
Molecular FormulaC10H13Cl2NOS
Molecular Weight266.19 g/mol
Exact Mass265.01
IUPAC Name[1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol
SMILESCC(NC1(CO)CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NOS/c1-6(13-10(5-14)2-3-10)7-4-8(11)15-9(7)12/h4,6,13-14H,2-3,5H2,1H3
InChIKeySUUZBLDTSBCLRL-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613567
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
[1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol
CID 91660867
2-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-4-methylpentanoic acid
CID 114082706
2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103786858
(2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine
CID 130553124
[1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol
CID 115976164
[1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol
CID 115929622
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 103787665
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721968
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716103

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol?
The IUPAC name of [1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol (CID 115929592) is [1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol is CC(NC1(CO)CC1)c1cc(Cl)sc1Cl.
What is the InChIKey of [1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol?
The InChIKey is SUUZBLDTSBCLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NOS/c1-6(13-10(5-14)2-3-10)7-4-8(11)15-9(7)12/h4,6,13-14H,2-3,5H2,1H3.
What are the key properties of [1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol?
[1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol has a molecular weight of 266.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol is sourced from PubChem (CID 115929592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).