2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol

C11H16ClNOS — CID 114750264

IUPAC2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCc2ccc(Cl)s2)CC1
InChIInChI=1S/C11H16ClNOS/c12-10-2-1-9(15-10)7-13-8-11(3-4-11)5-6-14/h1-2,13-14H,3-8H2
InChIKeyXTEXWQCJIHQILK-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.65
Rot. Bonds6

About 2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 114750264) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID114750264
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCc2ccc(Cl)s2)CC1
InChIInChI=1S/C11H16ClNOS/c12-10-2-1-9(15-10)7-13-8-11(3-4-11)5-6-14/h1-2,13-14H,3-8H2
InChIKeyXTEXWQCJIHQILK-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 115435554
1-(5-chlorothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246177
2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 104954546
1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724290
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
[1-[(5-chlorothiophen-2-yl)methyl]cyclopropyl]methanol
CID 66025210
1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246509
1-(5-chlorothiophen-2-yl)-N-[(1-phenylcyclopropyl)methyl]methanamine
CID 55684111
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 115244292
[1-[(5-chlorothiophen-2-yl)methylamino]cyclopropyl]methanol
CID 115763041
2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733110
N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507651

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol (CID 114750264) is 2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol is OCCC1(CNCc2ccc(Cl)s2)CC1.
What is the InChIKey of 2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is XTEXWQCJIHQILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c12-10-2-1-9(15-10)7-13-8-11(3-4-11)5-6-14/h1-2,13-14H,3-8H2.
What are the key properties of 2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 245.77 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).