3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol

C14H22FNO — CID 79086972

IUPAC3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
SMILESCCN(CC)CCC(O)c1ccc(F)cc1C
InChIInChI=1S/C14H22FNO/c1-4-16(5-2)9-8-14(17)13-7-6-12(15)10-11(13)3/h6-7,10,14,17H,4-5,8-9H2,1-3H3
InChIKeyPNQSHMLLJKTDKW-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.90
Rot. Bonds6

About 3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol

3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol (PubChem CID 79086972) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
PubChem CID79086972
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
SMILESCCN(CC)CCC(O)c1ccc(F)cc1C
InChIInChI=1S/C14H22FNO/c1-4-16(5-2)9-8-14(17)13-7-6-12(15)10-11(13)3/h6-7,10,14,17H,4-5,8-9H2,1-3H3
InChIKeyPNQSHMLLJKTDKW-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
CID 79743269
3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
CID 111565095
3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244099
N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65384194
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565145
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140
2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
CID 111564982
3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol
CID 106881114

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol?
The IUPAC name of 3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol (CID 79086972) is 3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol is CCN(CC)CCC(O)c1ccc(F)cc1C.
What is the InChIKey of 3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol?
The InChIKey is PNQSHMLLJKTDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-16(5-2)9-8-14(17)13-7-6-12(15)10-11(13)3/h6-7,10,14,17H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol?
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 79086972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).