2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol

C11H18ClNOS — CID 116913224

IUPAC2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol
SMILESCCC(CO)C(c1ccc(Cl)s1)N(C)C
InChIInChI=1S/C11H18ClNOS/c1-4-8(7-14)11(13(2)3)9-5-6-10(12)15-9/h5-6,8,11,14H,4,7H2,1-3H3
InChIKeyMKDUHMKKDQAJGA-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.02
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol

2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol (PubChem CID 116913224) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol
PubChem CID116913224
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol
SMILESCCC(CO)C(c1ccc(Cl)s1)N(C)C
InChIInChI=1S/C11H18ClNOS/c1-4-8(7-14)11(13(2)3)9-5-6-10(12)15-9/h5-6,8,11,14H,4,7H2,1-3H3
InChIKeyMKDUHMKKDQAJGA-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(1-chloropropyl)thiophene
CID 61086027
1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol
CID 61087799
1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 116905875
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N-dimethylbutane-1,2-diamine
CID 115714106
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783012
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
1-(5-chlorothiophen-2-yl)-1-N-(cyclohexylmethyl)-1-N-methylbutane-1,2-diamine
CID 63406517
3-(5-chlorothiophen-2-yl)butan-1-ol
CID 82075571
2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 82286142
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
CID 115817545
1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81058258
1-(5-chlorothiophen-2-yl)-1-N-(4-ethylcyclohexyl)-1-N-methylpropane-1,2-diamine
CID 63404164

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol (CID 116913224) is 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol is CCC(CO)C(c1ccc(Cl)s1)N(C)C.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol?
The InChIKey is MKDUHMKKDQAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-4-8(7-14)11(13(2)3)9-5-6-10(12)15-9/h5-6,8,11,14H,4,7H2,1-3H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol?
2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol has a molecular weight of 247.79 g/mol, XLogP of 3.02, 5 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)-(dimethylamino)methyl]butan-1-ol is sourced from PubChem (CID 116913224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).