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

C12H18FNO — CID 114347515

IUPAC1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol
SMILESCc1cc(F)ccc1CC(O)CN(C)C
InChIInChI=1S/C12H18FNO/c1-9-6-11(13)5-4-10(9)7-12(15)8-14(2)3/h4-6,12,15H,7-8H2,1-3H3
InChIKeyGZGFRZZVJGLLBO-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.60
Rot. Bonds4

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

1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol (PubChem CID 114347515) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol
PubChem CID114347515
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol
SMILESCc1cc(F)ccc1CC(O)CN(C)C
InChIInChI=1S/C12H18FNO/c1-9-6-11(13)5-4-10(9)7-12(15)8-14(2)3/h4-6,12,15H,7-8H2,1-3H3
InChIKeyGZGFRZZVJGLLBO-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol
CID 105131331
1-(dimethylamino)-3-(2-methylphenyl)propan-2-ol
CID 79087104
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347298
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051021
1-(3-bromo-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 64671392
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 114347483
1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105131232
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(dimethylamino)-3-(3,4-dimethylphenyl)propan-2-ol
CID 79087098

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol (CID 114347515) is 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol is Cc1cc(F)ccc1CC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol?
The InChIKey is GZGFRZZVJGLLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-6-11(13)5-4-10(9)7-12(15)8-14(2)3/h4-6,12,15H,7-8H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol?
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 114347515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).