2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol

C10H16ClNOS — CID 60692382

IUPAC2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-2-5-12(6-7-13)8-9-3-4-10(11)14-9/h3-4,13H,2,5-8H2,1H3
InChIKeyYEDAWFFMAKBZSZ-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.61
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol

2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol (PubChem CID 60692382) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol
PubChem CID60692382
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-2-5-12(6-7-13)8-9-3-4-10(11)14-9/h3-4,13H,2,5-8H2,1H3
InChIKeyYEDAWFFMAKBZSZ-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol
CID 102676588
4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide
CID 34704743
2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018489
3-[(5-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanethioamide
CID 55171134
3-[(5-chlorothiophen-2-yl)methyl-(2-methylpropyl)amino]propanenitrile
CID 55028558
5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol
CID 79039725
2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
CID 102609322
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide
CID 27072038
2-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914
2-[2-methoxyethyl-[(5-methoxythiophen-2-yl)methyl]amino]ethanol
CID 115882726
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol (CID 60692382) is 2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol is CCCN(CCO)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol?
The InChIKey is YEDAWFFMAKBZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-2-5-12(6-7-13)8-9-3-4-10(11)14-9/h3-4,13H,2,5-8H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol?
2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol has a molecular weight of 233.76 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol is sourced from PubChem (CID 60692382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).