3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol

C14H23NO3 — CID 114228743

IUPAC3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol
SMILESCOc1ccccc1N(C)CC(O)C(C)(C)OC
InChIInChI=1S/C14H23NO3/c1-14(2,18-5)13(16)10-15(3)11-8-6-7-9-12(11)17-4/h6-9,13,16H,10H2,1-5H3
InChIKeyBOJAUXRWTWZKIZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.92
Rot. Bonds6

About 3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol

3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol (PubChem CID 114228743) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol
PubChem CID114228743
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol
SMILESCOc1ccccc1N(C)CC(O)C(C)(C)OC
InChIInChI=1S/C14H23NO3/c1-14(2,18-5)13(16)10-15(3)11-8-6-7-9-12(11)17-4/h6-9,13,16H,10H2,1-5H3
InChIKeyBOJAUXRWTWZKIZ-UHFFFAOYSA-N
XLogP1.92
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64791521
1-N-(2-methoxyphenyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62041445
3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol
CID 114274916
2-methoxy-N-methyl-N-propylaniline
CID 23198488
1-cyclopropyl-N-ethyl-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 63914549
4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid
CID 65247680
3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile
CID 64536348
N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline
CID 65012537
5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101758
N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62259584
1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 62619697
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol?
The IUPAC name of 3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol (CID 114228743) is 3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol.
What is the SMILES notation for 3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol?
The canonical SMILES for 3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol is COc1ccccc1N(C)CC(O)C(C)(C)OC.
What is the InChIKey of 3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol?
The InChIKey is BOJAUXRWTWZKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,18-5)13(16)10-15(3)11-8-6-7-9-12(11)17-4/h6-9,13,16H,10H2,1-5H3.
What are the key properties of 3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol?
3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol is sourced from PubChem (CID 114228743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).