1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol

C14H24ClNOS — CID 79063462

IUPAC1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol
SMILESCCN(CC)C(C)(CC)C(O)Cc1ccc(Cl)s1
InChIInChI=1S/C14H24ClNOS/c1-5-14(4,16(6-2)7-3)12(17)10-11-8-9-13(15)18-11/h8-9,12,17H,5-7,10H2,1-4H3
InChIKeyMICSFJNWDUJFQM-UHFFFAOYSA-N
MW289.87 g/mol
LogP3.82
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol

1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol (PubChem CID 79063462) has the molecular formula C14H24ClNOS and a molecular weight of 289.87 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol
PubChem CID79063462
Molecular FormulaC14H24ClNOS
Molecular Weight289.87 g/mol
Exact Mass289.13
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol
SMILESCCN(CC)C(C)(CC)C(O)Cc1ccc(Cl)s1
InChIInChI=1S/C14H24ClNOS/c1-5-14(4,16(6-2)7-3)12(17)10-11-8-9-13(15)18-11/h8-9,12,17H,5-7,10H2,1-4H3
InChIKeyMICSFJNWDUJFQM-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.87
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79064420
3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol
CID 79063568
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79062445
1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol
CID 79061202
1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol
CID 79063697
1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
CID 79068987
1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
CID 62691720
1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol
CID 115346039
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680
1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758497
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol
CID 79063322

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol (CID 79063462) is 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol is CCN(CC)C(C)(CC)C(O)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol?
The InChIKey is MICSFJNWDUJFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNOS/c1-5-14(4,16(6-2)7-3)12(17)10-11-8-9-13(15)18-11/h8-9,12,17H,5-7,10H2,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol?
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol has a molecular weight of 289.87 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol is sourced from PubChem (CID 79063462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).