2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol

C18H22FNO — CID 115951224

IUPAC2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol
SMILESCC(C)(C)C(NCc1cccc(F)c1O)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-18(2,3)17(13-8-5-4-6-9-13)20-12-14-10-7-11-15(19)16(14)21/h4-11,17,20-21H,12H2,1-3H3
InChIKeyFPBZWPYRAVELCG-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.41
Rot. Bonds4

About 2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol

2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol (PubChem CID 115951224) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol
PubChem CID115951224
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol
SMILESCC(C)(C)C(NCc1cccc(F)c1O)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-18(2,3)17(13-8-5-4-6-9-13)20-12-14-10-7-11-15(19)16(14)21/h4-11,17,20-21H,12H2,1-3H3
InChIKeyFPBZWPYRAVELCG-UHFFFAOYSA-N
XLogP4.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
CID 43735061
2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
CID 112606368
2-[(3-fluoro-2-hydroxyphenyl)methylamino]-3-methylbutanoic acid
CID 112606709
2-fluoro-6-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 115951015
N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693292
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol
CID 115951107
2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine
CID 43433325
methyl 2-[(3-fluoro-2-hydroxyphenyl)methylamino]butanoate
CID 114283733
2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112606910
4-[[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-2-[5-[[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol
CID 58895709
2-fluoro-6-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]phenol
CID 103948796

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol?
The IUPAC name of 2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol (CID 115951224) is 2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol.
What is the SMILES notation for 2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol?
The canonical SMILES for 2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol is CC(C)(C)C(NCc1cccc(F)c1O)c1ccccc1.
What is the InChIKey of 2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol?
The InChIKey is FPBZWPYRAVELCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-18(2,3)17(13-8-5-4-6-9-13)20-12-14-10-7-11-15(19)16(14)21/h4-11,17,20-21H,12H2,1-3H3.
What are the key properties of 2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol?
2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol has a molecular weight of 287.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol is sourced from PubChem (CID 115951224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).