3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol

C14H23NO3 — CID 115216939

IUPAC3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol
SMILESCOc1cc(C)c(CN(C)CCCO)cc1OC
InChIInChI=1S/C14H23NO3/c1-11-8-13(17-3)14(18-4)9-12(11)10-15(2)6-5-7-16/h8-9,16H,5-7,10H2,1-4H3
InChIKeyMFTZUPYHFBHHJS-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.83
Rot. Bonds7

About 3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol

3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol (PubChem CID 115216939) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol
PubChem CID115216939
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol
SMILESCOc1cc(C)c(CN(C)CCCO)cc1OC
InChIInChI=1S/C14H23NO3/c1-11-8-13(17-3)14(18-4)9-12(11)10-15(2)6-5-7-16/h8-9,16H,5-7,10H2,1-4H3
InChIKeyMFTZUPYHFBHHJS-UHFFFAOYSA-N
XLogP1.83
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-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

[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol
CID 112683473
2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 60696434
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
3-[methyl-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]propan-1-ol
CID 115216940
3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980490
4-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]butanenitrile
CID 115231812
2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]isoindole-1,3-dione
CID 9234059
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
N-ethyl-N'-[(4-methoxy-2,5-dimethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205904
4-[(2-methoxy-4,5-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231797

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol (CID 115216939) is 3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol is COc1cc(C)c(CN(C)CCCO)cc1OC.
What is the InChIKey of 3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol?
The InChIKey is MFTZUPYHFBHHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11-8-13(17-3)14(18-4)9-12(11)10-15(2)6-5-7-16/h8-9,16H,5-7,10H2,1-4H3.
What are the key properties of 3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol?
3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 115216939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).