2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol

C12H18FNO — CID 79137948

IUPAC2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-3-12(2,8-14)11(15)9-6-4-5-7-10(9)13/h4-7,11,15H,3,8,14H2,1-2H3
InChIKeyHXZFVWKAOBBXLT-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.23
Rot. Bonds4

About 2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol

2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol (PubChem CID 79137948) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol
PubChem CID79137948
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-3-12(2,8-14)11(15)9-6-4-5-7-10(9)13/h4-7,11,15H,3,8,14H2,1-2H3
InChIKeyHXZFVWKAOBBXLT-UHFFFAOYSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol
CID 79135152
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069250
1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552
2-bromo-1-(2-fluorophenyl)-2-methylsulfonylbutan-1-ol
CID 102550507
2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol
CID 79138441
1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933473
1-(2-fluorophenyl)-2-methoxy-2-methylpropan-1-ol
CID 79198458
2-(aminomethyl)-1-(furan-2-yl)-2-methylbutan-1-ol
CID 79135708
2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol
CID 79125953
2,2-dibromo-2-ethylsulfonyl-1-(2-fluorophenyl)ethanol
CID 102550407
1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 115781710

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol (CID 79137948) is 2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol is CCC(C)(CN)C(O)c1ccccc1F.
What is the InChIKey of 2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol?
The InChIKey is HXZFVWKAOBBXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-12(2,8-14)11(15)9-6-4-5-7-10(9)13/h4-7,11,15H,3,8,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol?
2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 79137948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).