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

C15H25NO2 — CID 115251929

IUPAC2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
SMILESCOc1ccc(C)cc1N(C)CC(CO)C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)13(10-17)9-16(4)14-8-12(3)6-7-15(14)18-5/h6-8,11,13,17H,9-10H2,1-5H3
InChIKeyZRQCJTUGCOWUDS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.70
Rot. Bonds6

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

2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol (PubChem CID 115251929) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
PubChem CID115251929
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
SMILESCOc1ccc(C)cc1N(C)CC(CO)C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)13(10-17)9-16(4)14-8-12(3)6-7-15(14)18-5/h6-8,11,13,17H,9-10H2,1-5H3
InChIKeyZRQCJTUGCOWUDS-UHFFFAOYSA-N
XLogP2.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol
CID 115137383
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
CID 115133221
2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115254869
2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115120381
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
CID 115120393
N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 115213903

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol (CID 115251929) is 2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol is COc1ccc(C)cc1N(C)CC(CO)C(C)C.
What is the InChIKey of 2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol?
The InChIKey is ZRQCJTUGCOWUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)13(10-17)9-16(4)14-8-12(3)6-7-15(14)18-5/h6-8,11,13,17H,9-10H2,1-5H3.
What are the key properties of 2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol?
2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.70, 6 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)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115251929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).