2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol

C12H16FNO2 — CID 117323632

IUPAC2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol
SMILESCN(C)Cc1cc(F)cc(C2(O)CC2)c1O
InChIInChI=1S/C12H16FNO2/c1-14(2)7-8-5-9(13)6-10(11(8)15)12(16)3-4-12/h5-6,15-16H,3-4,7H2,1-2H3
InChIKeyNSZAEZZSPJVFFO-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.57
Rot. Bonds3

About 2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol

2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol (PubChem CID 117323632) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol
PubChem CID117323632
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol
SMILESCN(C)Cc1cc(F)cc(C2(O)CC2)c1O
InChIInChI=1S/C12H16FNO2/c1-14(2)7-8-5-9(13)6-10(11(8)15)12(16)3-4-12/h5-6,15-16H,3-4,7H2,1-2H3
InChIKeyNSZAEZZSPJVFFO-UHFFFAOYSA-N
XLogP1.57
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol (CID 117323632) is 2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol is CN(C)Cc1cc(F)cc(C2(O)CC2)c1O.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol?
The InChIKey is NSZAEZZSPJVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-14(2)7-8-5-9(13)6-10(11(8)15)12(16)3-4-12/h5-6,15-16H,3-4,7H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol?
2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol has a molecular weight of 225.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol is sourced from PubChem (CID 117323632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).