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

C13H20FNO2 — CID 79046198

IUPAC2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(O)C(C)(C)N(C)C)cc1F
InChIInChI=1S/C13H20FNO2/c1-13(2,15(3)4)12(16)9-6-7-11(17-5)10(14)8-9/h6-8,12,16H,1-5H3
InChIKeySOHOPZZNVZJYSE-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.21
Rot. Bonds4

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

2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 79046198) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID79046198
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(O)C(C)(C)N(C)C)cc1F
InChIInChI=1S/C13H20FNO2/c1-13(2,15(3)4)12(16)9-6-7-11(17-5)10(14)8-9/h6-8,12,16H,1-5H3
InChIKeySOHOPZZNVZJYSE-UHFFFAOYSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053803
2-ethyl-1-(3-fluoro-4-methoxyphenyl)butane-1,2-diol
CID 103449386
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol
CID 116752804
2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol
CID 79125953
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 79052974
4-(dichloromethyl)-2-fluoro-1-methoxybenzene
CID 150361147
2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetamide
CID 65101692
1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909206

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol (CID 79046198) is 2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol is COc1ccc(C(O)C(C)(C)N(C)C)cc1F.
What is the InChIKey of 2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is SOHOPZZNVZJYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-13(2,15(3)4)12(16)9-6-7-11(17-5)10(14)8-9/h6-8,12,16H,1-5H3.
What are the key properties of 2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol?
2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 79046198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).