1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol

C12H18FNO2 — CID 79086997

IUPAC1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)CN(C)C)cc1F
InChIInChI=1S/C12H18FNO2/c1-14(2)8-10(15)6-9-4-5-12(16-3)11(13)7-9/h4-5,7,10,15H,6,8H2,1-3H3
InChIKeyYTGVMZKFXRIJPD-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.30
Rot. Bonds5

About 1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol

1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol (PubChem CID 79086997) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
PubChem CID79086997
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)CN(C)C)cc1F
InChIInChI=1S/C12H18FNO2/c1-14(2)8-10(15)6-9-4-5-12(16-3)11(13)7-9/h4-5,7,10,15H,6,8H2,1-3H3
InChIKeyYTGVMZKFXRIJPD-UHFFFAOYSA-N
XLogP1.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-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-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol
CID 116659969
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135833
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
CID 105084500
1-(dimethylamino)-3-(3,4-dimethylphenyl)propan-2-ol
CID 79087098
1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 115782389
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105084457
3-[[3-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]-methylamino]-2-methylpropanoic acid
CID 122047157

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol (CID 79086997) is 1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol is COc1ccc(CC(O)CN(C)C)cc1F.
What is the InChIKey of 1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The InChIKey is YTGVMZKFXRIJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-14(2)8-10(15)6-9-4-5-12(16-3)11(13)7-9/h4-5,7,10,15H,6,8H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 79086997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).