2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol

C13H20FNO2 — CID 79125953

IUPAC2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-4-13(2,8-15)12(16)9-5-6-11(17-3)10(14)7-9/h5-7,12,16H,4,8,15H2,1-3H3
InChIKeySPUYSWUQRQOFAN-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.24
Rot. Bonds5

About 2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol

2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol (PubChem CID 79125953) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol
PubChem CID79125953
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-4-13(2,8-15)12(16)9-5-6-11(17-3)10(14)7-9/h5-7,12,16H,4,8,15H2,1-3H3
InChIKeySPUYSWUQRQOFAN-UHFFFAOYSA-N
XLogP2.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol
CID 79137885
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-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 79046198
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol
CID 79135152
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1R,3R)-3-amino-4,4,4-trifluoro-1-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 171237844
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 95001932
2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 53276116

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol (CID 79125953) is 2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol is CCC(C)(CN)C(O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol?
The InChIKey is SPUYSWUQRQOFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-13(2,8-15)12(16)9-5-6-11(17-3)10(14)7-9/h5-7,12,16H,4,8,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol?
2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 79125953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).