1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol

C18H23NO3 — CID 82073662

IUPAC1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol
SMILESCOc1ccc(C(O)CCN(C)c2ccccc2)cc1OC
InChIInChI=1S/C18H23NO3/c1-19(15-7-5-4-6-8-15)12-11-16(20)14-9-10-17(21-2)18(13-14)22-3/h4-10,13,16,20H,11-12H2,1-3H3
InChIKeyHZTJLPURAJSAKT-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.26
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol

1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol (PubChem CID 82073662) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol
PubChem CID82073662
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol
SMILESCOc1ccc(C(O)CCN(C)c2ccccc2)cc1OC
InChIInChI=1S/C18H23NO3/c1-19(15-7-5-4-6-8-15)12-11-16(20)14-9-10-17(21-2)18(13-14)22-3/h4-10,13,16,20H,11-12H2,1-3H3
InChIKeyHZTJLPURAJSAKT-UHFFFAOYSA-N
XLogP3.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82071747
1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
CID 82074437
1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
CID 82073652
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
[3-(3,4-dimethoxyphenyl)-3-hydroxypropyl]-triphenylphosphanium
CID 11284069
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(N-methylanilino)propan-1-ol
CID 82073633
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol (CID 82073662) is 1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol is COc1ccc(C(O)CCN(C)c2ccccc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol?
The InChIKey is HZTJLPURAJSAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-19(15-7-5-4-6-8-15)12-11-16(20)14-9-10-17(21-2)18(13-14)22-3/h4-10,13,16,20H,11-12H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol?
1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol is sourced from PubChem (CID 82073662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).