4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol

C12H19NO2 — CID 112517754

IUPAC4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol
SMILESCNCC(O)CCc1ccccc1OC
InChIInChI=1S/C12H19NO2/c1-13-9-11(14)8-7-10-5-3-4-6-12(10)15-2/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyNZEHNYUBCRVMFA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.21
Rot. Bonds6

About 4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol

4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol (PubChem CID 112517754) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol
PubChem CID112517754
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol
SMILESCNCC(O)CCc1ccccc1OC
InChIInChI=1S/C12H19NO2/c1-13-9-11(14)8-7-10-5-3-4-6-12(10)15-2/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyNZEHNYUBCRVMFA-UHFFFAOYSA-N
XLogP1.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-methoxyphenyl)-1-(methylamino)butan-2-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

1-(2-methoxyphenyl)-3-(methylamino)propan-2-ol
CID 64983172
5-(2-methoxyphenyl)pentane-2,3-diol
CID 83929090
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
1-methoxy-2-[(3R)-3-methylpentyl]benzene
CID 142086575
N-[2-(2-methoxyphenyl)ethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119776514
2-[(2-methoxyphenyl)methylsulfanyl]-N,N'-dimethylpropane-1,3-diamine
CID 67729660
4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742
2-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 62530565
3-hydroxy-4-[2-(2-methoxyphenyl)ethylamino]butanoic acid
CID 106261779
N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide
CID 66175795

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol?
The IUPAC name of 4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol (CID 112517754) is 4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol?
The canonical SMILES for 4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol is CNCC(O)CCc1ccccc1OC.
What is the InChIKey of 4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol?
The InChIKey is NZEHNYUBCRVMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-13-9-11(14)8-7-10-5-3-4-6-12(10)15-2/h3-6,11,13-14H,7-9H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol?
4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol is sourced from PubChem (CID 112517754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).