1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol

C17H26ClNO2 — CID 79701026

IUPAC1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1ccc(Cl)c(OC)c1)N1CCCC1
InChIInChI=1S/C17H26ClNO2/c1-4-17(5-2,19-10-6-7-11-19)16(20)13-8-9-14(18)15(12-13)21-3/h8-9,12,16,20H,4-7,10-11H2,1-3H3
InChIKeyMTNUWMYENKOKPF-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.04
Rot. Bonds6

About 1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol

1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 79701026) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID79701026
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1ccc(Cl)c(OC)c1)N1CCCC1
InChIInChI=1S/C17H26ClNO2/c1-4-17(5-2,19-10-6-7-11-19)16(20)13-8-9-14(18)15(12-13)21-3/h8-9,12,16,20H,4-7,10-11H2,1-3H3
InChIKeyMTNUWMYENKOKPF-UHFFFAOYSA-N
XLogP4.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79698269
1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79700570
1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751889
2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82771554
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79064831
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)-2-methylpropan-1-ol
CID 79051073
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol (CID 79701026) is 1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol is CCC(CC)(C(O)c1ccc(Cl)c(OC)c1)N1CCCC1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is MTNUWMYENKOKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-4-17(5-2,19-10-6-7-11-19)16(20)13-8-9-14(18)15(12-13)21-3/h8-9,12,16,20H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol?
1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 311.85 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 79701026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).