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

C11H16FNO — CID 117287208

IUPAC1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
SMILESCC(O)Cc1ccc(N(C)C)c(F)c1
InChIInChI=1S/C11H16FNO/c1-8(14)6-9-4-5-11(13(2)3)10(12)7-9/h4-5,7-8,14H,6H2,1-3H3
InChIKeyRSRFVWIJBDEJIN-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.82
Rot. Bonds3

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

1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol (PubChem CID 117287208) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
PubChem CID117287208
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
SMILESCC(O)Cc1ccc(N(C)C)c(F)c1
InChIInChI=1S/C11H16FNO/c1-8(14)6-9-4-5-11(13(2)3)10(12)7-9/h4-5,7-8,14H,6H2,1-3H3
InChIKeyRSRFVWIJBDEJIN-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 83442489
4-(chloromethyl)-2-fluoro-N,N-dimethylaniline;hydrochloride
CID 22072566
2-fluoro-N,N-dimethyl-4-propylaniline
CID 89112656
2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline
CID 155088151
1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol
CID 62335484
1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117287870
3-[3-(dimethylamino)-4-fluorophenyl]-2-methylpropanoic acid
CID 115112870
[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride
CID 84707494
1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol
CID 117347394
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110910378
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933832
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol?
The IUPAC name of 1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol (CID 117287208) is 1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol?
The canonical SMILES for 1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol is CC(O)Cc1ccc(N(C)C)c(F)c1.
What is the InChIKey of 1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol?
The InChIKey is RSRFVWIJBDEJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(14)6-9-4-5-11(13(2)3)10(12)7-9/h4-5,7-8,14H,6H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol?
1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol has a molecular weight of 197.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol is sourced from PubChem (CID 117287208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).