3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol

C14H23NO2 — CID 114274916

IUPAC3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol
SMILESCCC(C)(C(C)O)N(C)c1ccccc1OC
InChIInChI=1S/C14H23NO2/c1-6-14(3,11(2)16)15(4)12-9-7-8-10-13(12)17-5/h7-11,16H,6H2,1-5H3
InChIKeyYFDJSGJDZYQFHC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.68
Rot. Bonds5

About 3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol

3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol (PubChem CID 114274916) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol.

Molecular Properties

Compound Name3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol
PubChem CID114274916
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol
SMILESCCC(C)(C(C)O)N(C)c1ccccc1OC
InChIInChI=1S/C14H23NO2/c1-6-14(3,11(2)16)15(4)12-9-7-8-10-13(12)17-5/h7-11,16H,6H2,1-5H3
InChIKeyYFDJSGJDZYQFHC-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
CID 115995973
1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 55074176
3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol
CID 114228743
N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62259584
2-methoxy-N-methyl-N-propylaniline
CID 23198488
tert-butyl 2-(2-methoxy-N-methylanilino)propanoate
CID 64689348
1-(2,6-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 116810559
2-ethyl-N-(2-methoxyphenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 62260433
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069176
N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
N-iodo-2-methoxy-N-methylaniline
CID 153134478
N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62260778

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol?
The IUPAC name of 3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol (CID 114274916) is 3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol.
What is the SMILES notation for 3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol?
The canonical SMILES for 3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol is CCC(C)(C(C)O)N(C)c1ccccc1OC.
What is the InChIKey of 3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol?
The InChIKey is YFDJSGJDZYQFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-14(3,11(2)16)15(4)12-9-7-8-10-13(12)17-5/h7-11,16H,6H2,1-5H3.
What are the key properties of 3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol?
3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol is sourced from PubChem (CID 114274916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).