dimethylamino-(4-fluorophenyl)methanol

C9H12FNO — CID 116909515

IUPACdimethylamino-(4-fluorophenyl)methanol
SMILESCN(C)C(O)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6,9,12H,1-2H3
InChIKeyPBSJKEYKQZBGMD-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.38
Rot. Bonds2

About dimethylamino-(4-fluorophenyl)methanol

dimethylamino-(4-fluorophenyl)methanol (PubChem CID 116909515) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is dimethylamino-(4-fluorophenyl)methanol.

Molecular Properties

Compound Namedimethylamino-(4-fluorophenyl)methanol
PubChem CID116909515
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Namedimethylamino-(4-fluorophenyl)methanol
SMILESCN(C)C(O)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6,9,12H,1-2H3
InChIKeyPBSJKEYKQZBGMD-UHFFFAOYSA-N
XLogP1.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-tert-butylphenyl)-(dimethylamino)methanol
CID 116909511
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
(2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol
CID 111487223
dimethylamino-(4-phenoxyphenyl)methanol
CID 116909552
4-[[ethyl(methyl)amino]-hydroxymethyl]phenol
CID 67460714
N-[bis(4-fluorophenyl)methyl]-N-methylacetamide
CID 22660932
2-fluoro-1-(4-fluorophenyl)-2-methylpropan-1-ol
CID 130561742
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111107929
3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol
CID 117244762
(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119275395
5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one
CID 116910606
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473

Frequently Asked Questions

What is the IUPAC name of dimethylamino-(4-fluorophenyl)methanol?
The IUPAC name of dimethylamino-(4-fluorophenyl)methanol (CID 116909515) is dimethylamino-(4-fluorophenyl)methanol.
What is the SMILES notation for dimethylamino-(4-fluorophenyl)methanol?
The canonical SMILES for dimethylamino-(4-fluorophenyl)methanol is CN(C)C(O)c1ccc(F)cc1.
What is the InChIKey of dimethylamino-(4-fluorophenyl)methanol?
The InChIKey is PBSJKEYKQZBGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6,9,12H,1-2H3.
What are the key properties of dimethylamino-(4-fluorophenyl)methanol?
dimethylamino-(4-fluorophenyl)methanol has a molecular weight of 169.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-(4-fluorophenyl)methanol is sourced from PubChem (CID 116909515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).