1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol

C16H26ClNO2 — CID 79053243

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol
SMILESCCN(CC)C(C)(C)C(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C16H26ClNO2/c1-6-18(7-2)16(3,4)15(19)11-12-10-13(17)8-9-14(12)20-5/h8-10,15,19H,6-7,11H2,1-5H3
InChIKeyXFLLPVMYPJXSNU-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.37
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol

1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol (PubChem CID 79053243) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol
PubChem CID79053243
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol
SMILESCCN(CC)C(C)(C)C(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C16H26ClNO2/c1-6-18(7-2)16(3,4)15(19)11-12-10-13(17)8-9-14(12)20-5/h8-10,15,19H,6-7,11H2,1-5H3
InChIKeyXFLLPVMYPJXSNU-UHFFFAOYSA-N
XLogP3.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
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CID 103449379
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
CID 114270657
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
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1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
CID 115788751
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid
CID 98822940
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-one
CID 63548794
3-[(5-chloro-2-methoxyphenyl)methyl]pentan-2-one
CID 60999984

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol (CID 79053243) is 1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol is CCN(CC)C(C)(C)C(O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol?
The InChIKey is XFLLPVMYPJXSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-6-18(7-2)16(3,4)15(19)11-12-10-13(17)8-9-14(12)20-5/h8-10,15,19H,6-7,11H2,1-5H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol?
1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol has a molecular weight of 299.84 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 79053243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).