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

C14H23NO2 — CID 115250618

IUPAC2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
SMILESCCC(CO)CN(C)c1cc(C)ccc1OC
InChIInChI=1S/C14H23NO2/c1-5-12(10-16)9-15(3)13-8-11(2)6-7-14(13)17-4/h6-8,12,16H,5,9-10H2,1-4H3
InChIKeyVHVDERRIUFIBLX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.46
Rot. Bonds6

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

2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol (PubChem CID 115250618) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
PubChem CID115250618
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
SMILESCCC(CO)CN(C)c1cc(C)ccc1OC
InChIInChI=1S/C14H23NO2/c1-5-12(10-16)9-15(3)13-8-11(2)6-7-14(13)17-4/h6-8,12,16H,5,9-10H2,1-4H3
InChIKeyVHVDERRIUFIBLX-UHFFFAOYSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115254869
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
CID 115251929
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251309
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
2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol
CID 115137383
2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250884
(2S)-2-(2-methoxy-N,5-dimethylanilino)butanoic acid
CID 100521470
2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
CID 115133221
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol?
The IUPAC name of 2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol (CID 115250618) is 2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol?
The canonical SMILES for 2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol is CCC(CO)CN(C)c1cc(C)ccc1OC.
What is the InChIKey of 2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol?
The InChIKey is VHVDERRIUFIBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-12(10-16)9-15(3)13-8-11(2)6-7-14(13)17-4/h6-8,12,16H,5,9-10H2,1-4H3.
What are the key properties of 2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol?
2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.46, 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]butan-1-ol is sourced from PubChem (CID 115250618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).