2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol

C12H18FNO — CID 112606368

IUPAC2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
SMILESCC(C)C(C)NCc1cccc(F)c1O
InChIInChI=1S/C12H18FNO/c1-8(2)9(3)14-7-10-5-4-6-11(13)12(10)15/h4-6,8-9,14-15H,7H2,1-3H3
InChIKeyJSJJHZTYDJPMGB-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.67
Rot. Bonds4

About 2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol

2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol (PubChem CID 112606368) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
PubChem CID112606368
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
SMILESCC(C)C(C)NCc1cccc(F)c1O
InChIInChI=1S/C12H18FNO/c1-8(2)9(3)14-7-10-5-4-6-11(13)12(10)15/h4-6,8-9,14-15H,7H2,1-3H3
InChIKeyJSJJHZTYDJPMGB-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]phenol
CID 103948796
2-[(3-fluoro-2-hydroxyphenyl)methylamino]-3-methylbutanoic acid
CID 112606709
2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol
CID 115951224
2-fluoro-6-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 115951015
2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol
CID 115951107
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
2-fluoro-6-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenol
CID 106282032
methyl 2-[(3-fluoro-2-hydroxyphenyl)methylamino]butanoate
CID 114283733
2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112606910
2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 112607156
2-(bromomethyl)-6-fluorophenol
CID 86086661
2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 103940685

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol (CID 112606368) is 2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol is CC(C)C(C)NCc1cccc(F)c1O.
What is the InChIKey of 2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol?
The InChIKey is JSJJHZTYDJPMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(2)9(3)14-7-10-5-4-6-11(13)12(10)15/h4-6,8-9,14-15H,7H2,1-3H3.
What are the key properties of 2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol?
2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol has a molecular weight of 211.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol is sourced from PubChem (CID 112606368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).