1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol

C16H24ClNO3 — CID 79700570

IUPAC1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
SMILESCCC(C)(C(O)c1ccc(Cl)c(OC)c1)N1CCOCC1
InChIInChI=1S/C16H24ClNO3/c1-4-16(2,18-7-9-21-10-8-18)15(19)12-5-6-13(17)14(11-12)20-3/h5-6,11,15,19H,4,7-10H2,1-3H3
InChIKeyISHYCSAQSIGEFW-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol

1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol (PubChem CID 79700570) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
PubChem CID79700570
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
SMILESCCC(C)(C(O)c1ccc(Cl)c(OC)c1)N1CCOCC1
InChIInChI=1S/C16H24ClNO3/c1-4-16(2,18-7-9-21-10-8-18)15(19)12-5-6-13(17)14(11-12)20-3/h5-6,11,15,19H,4,7-10H2,1-3H3
InChIKeyISHYCSAQSIGEFW-UHFFFAOYSA-N
XLogP2.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol
CID 79065620
1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79701026
[1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropyl]hydrazine
CID 105240053
1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79064831
1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751889
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 82791751
[1-(3,4-dichlorophenyl)-2-methyl-2-morpholin-4-ylbutyl]hydrazine
CID 105241529
1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79698269
1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 102654749
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
(1S,2R)-1-amino-1-(4-chloro-3-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171270141
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069176

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol (CID 79700570) is 1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol is CCC(C)(C(O)c1ccc(Cl)c(OC)c1)N1CCOCC1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol?
The InChIKey is ISHYCSAQSIGEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-4-16(2,18-7-9-21-10-8-18)15(19)12-5-6-13(17)14(11-12)20-3/h5-6,11,15,19H,4,7-10H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol?
1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol has a molecular weight of 313.82 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol is sourced from PubChem (CID 79700570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).