1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol

C15H26BrNOS — CID 79061202

IUPAC1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol
SMILESCCN(CC)C(CC)(CC)C(O)Cc1ccc(Br)s1
InChIInChI=1S/C15H26BrNOS/c1-5-15(6-2,17(7-3)8-4)13(18)11-12-9-10-14(16)19-12/h9-10,13,18H,5-8,11H2,1-4H3
InChIKeyXDAPMHXWEPOURV-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.31
Rot. Bonds8

About 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol

1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol (PubChem CID 79061202) has the molecular formula C15H26BrNOS and a molecular weight of 348.35 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol
PubChem CID79061202
Molecular FormulaC15H26BrNOS
Molecular Weight348.35 g/mol
Exact Mass347.09
IUPAC Name1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol
SMILESCCN(CC)C(CC)(CC)C(O)Cc1ccc(Br)s1
InChIInChI=1S/C15H26BrNOS/c1-5-15(6-2,17(7-3)8-4)13(18)11-12-9-10-14(16)19-12/h9-10,13,18H,5-8,11H2,1-4H3
InChIKeyXDAPMHXWEPOURV-UHFFFAOYSA-N
XLogP4.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198455
1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
CID 79068987
3-(diethylamino)-3-ethyl-1-(furan-3-yl)pentan-2-ol
CID 83175769
1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one
CID 79063919
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol
CID 79063462
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79062445
1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol
CID 63890851
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
1-(5-bromothiophen-2-yl)-4-ethylhexane-2,3-diol
CID 103459887
2-bromo-5-(3-chloro-2-methylpropyl)thiophene
CID 66036533
3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine
CID 79060124
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol (CID 79061202) is 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol is CCN(CC)C(CC)(CC)C(O)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol?
The InChIKey is XDAPMHXWEPOURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNOS/c1-5-15(6-2,17(7-3)8-4)13(18)11-12-9-10-14(16)19-12/h9-10,13,18H,5-8,11H2,1-4H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol?
1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol has a molecular weight of 348.35 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol is sourced from PubChem (CID 79061202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).