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

C12H18FNO — CID 115345951

IUPAC3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1cc(F)ccc1C(O)CCN(C)C
InChIInChI=1S/C12H18FNO/c1-9-8-10(13)4-5-11(9)12(15)6-7-14(2)3/h4-5,8,12,15H,6-7H2,1-3H3
InChIKeyDPKAZEDYIPLGAP-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.12
Rot. Bonds4

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

3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol (PubChem CID 115345951) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
PubChem CID115345951
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1cc(F)ccc1C(O)CCN(C)C
InChIInChI=1S/C12H18FNO/c1-9-8-10(13)4-5-11(9)12(15)6-7-14(2)3/h4-5,8,12,15H,6-7H2,1-3H3
InChIKeyDPKAZEDYIPLGAP-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111565148
1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105093937
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol
CID 111565172
3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
CID 111565095
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide
CID 109411515
3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
CID 114727140
2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
CID 111564982

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol (CID 115345951) is 3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol is Cc1cc(F)ccc1C(O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol?
The InChIKey is DPKAZEDYIPLGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-8-10(13)4-5-11(9)12(15)6-7-14(2)3/h4-5,8,12,15H,6-7H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol?
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 115345951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).