1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol

C11H17FN2O — CID 83442489

IUPAC1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
SMILESCN(C)c1ccc(CC(O)CN)cc1F
InChIInChI=1S/C11H17FN2O/c1-14(2)11-4-3-8(6-10(11)12)5-9(15)7-13/h3-4,6,9,15H,5,7,13H2,1-2H3
InChIKeyLVHRISOHZQNEPP-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.75
Rot. Bonds4

About 1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol

1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol (PubChem CID 83442489) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
PubChem CID83442489
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
SMILESCN(C)c1ccc(CC(O)CN)cc1F
InChIInChI=1S/C11H17FN2O/c1-14(2)11-4-3-8(6-10(11)12)5-9(15)7-13/h3-4,6,9,15H,5,7,13H2,1-2H3
InChIKeyLVHRISOHZQNEPP-UHFFFAOYSA-N
XLogP0.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 117287208
1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol
CID 82397890
4-(chloromethyl)-2-fluoro-N,N-dimethylaniline;hydrochloride
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2-fluoro-N,N-dimethyl-4-propylaniline
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1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol
CID 62335484
1-amino-3-(3,5-difluorophenyl)propan-2-ol
CID 83442505
2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline
CID 155088151
[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride
CID 84707494
4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
CID 82398888
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide
CID 55034945
2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
CID 60960608

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol?
The IUPAC name of 1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol (CID 83442489) is 1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol?
The canonical SMILES for 1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol is CN(C)c1ccc(CC(O)CN)cc1F.
What is the InChIKey of 1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol?
The InChIKey is LVHRISOHZQNEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-14(2)11-4-3-8(6-10(11)12)5-9(15)7-13/h3-4,6,9,15H,5,7,13H2,1-2H3.
What are the key properties of 1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol?
1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol has a molecular weight of 212.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol is sourced from PubChem (CID 83442489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).