2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol

C14H23NO2 — CID 115137383

IUPAC2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol
SMILESCOc1ccc(C)cc1N(C)C(CO)C(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)13(9-16)15(4)12-8-11(3)6-7-14(12)17-5/h6-8,10,13,16H,9H2,1-5H3
InChIKeyXOQJDVNKLVRIDR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.46
Rot. Bonds5

About 2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol

2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol (PubChem CID 115137383) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol
PubChem CID115137383
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol
SMILESCOc1ccc(C)cc1N(C)C(CO)C(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)13(9-16)15(4)12-8-11(3)6-7-14(12)17-5/h6-8,10,13,16H,9H2,1-5H3
InChIKeyXOQJDVNKLVRIDR-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
CID 115251929
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
CID 115250618
(2S)-2-(2-methoxy-N,5-dimethylanilino)butanoic acid
CID 100521470
2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
CID 115133221
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide
CID 115188555
2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138015
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536
2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde
CID 142942704
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137582

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol?
The IUPAC name of 2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol (CID 115137383) is 2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol is COc1ccc(C)cc1N(C)C(CO)C(C)C.
What is the InChIKey of 2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol?
The InChIKey is XOQJDVNKLVRIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)13(9-16)15(4)12-8-11(3)6-7-14(12)17-5/h6-8,10,13,16H,9H2,1-5H3.
What are the key properties of 2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol?
2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol is sourced from PubChem (CID 115137383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).