2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol

C11H16FNO — CID 112616072

IUPAC2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(C)Cc1cccc(F)c1O
InChIInChI=1S/C11H16FNO/c1-8(2)13(3)7-9-5-4-6-10(12)11(9)14/h4-6,8,14H,7H2,1-3H3
InChIKeyHFPDKJUYNLBXAV-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.37
Rot. Bonds3

About 2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol

2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol (PubChem CID 112616072) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
PubChem CID112616072
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(C)Cc1cccc(F)c1O
InChIInChI=1S/C11H16FNO/c1-8(2)13(3)7-9-5-4-6-10(12)11(9)14/h4-6,8,14H,7H2,1-3H3
InChIKeyHFPDKJUYNLBXAV-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol
CID 112616088
2-(bromomethyl)-6-fluorophenol
CID 86086661
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol
CID 112616142
2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol
CID 112616052
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193
2-[[ethyl(propyl)amino]methyl]-6-fluorophenol
CID 112616084
2-[(N-ethylanilino)methyl]-6-fluorophenol
CID 112616054
2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
CID 112606368
N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide
CID 112616212
2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
CID 115958911
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol (CID 112616072) is 2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol is CC(C)N(C)Cc1cccc(F)c1O.
What is the InChIKey of 2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol?
The InChIKey is HFPDKJUYNLBXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(2)13(3)7-9-5-4-6-10(12)11(9)14/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol?
2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol has a molecular weight of 197.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 112616072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).