4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol

C14H24N2O2 — CID 64789526

IUPAC4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCN(C)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O2/c1-14(11-17,15-2)8-9-16(3)12-6-5-7-13(10-12)18-4/h5-7,10,15,17H,8-9,11H2,1-4H3
InChIKeyFSLHUWFKISHKEJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.49
Rot. Bonds7

About 4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol

4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 64789526) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
PubChem CID64789526
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCN(C)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O2/c1-14(11-17,15-2)8-9-16(3)12-6-5-7-13(10-12)18-4/h5-7,10,15,17H,8-9,11H2,1-4H3
InChIKeyFSLHUWFKISHKEJ-UHFFFAOYSA-N
XLogP1.49
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790325
4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile
CID 65251156
1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
CID 64819164
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
CID 64789532
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63055038
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62836361
N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol
CID 64791309

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol (CID 64789526) is 4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol is CNC(C)(CO)CCN(C)c1cccc(OC)c1.
What is the InChIKey of 4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is FSLHUWFKISHKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(11-17,15-2)8-9-16(3)12-6-5-7-13(10-12)18-4/h5-7,10,15,17H,8-9,11H2,1-4H3.
What are the key properties of 4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol?
4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64789526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).