2-[(N,2-dimethylanilino)methyl]-6-fluorophenol

C15H16FNO — CID 112616193

IUPAC2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
SMILESCc1ccccc1N(C)Cc1cccc(F)c1O
InChIInChI=1S/C15H16FNO/c1-11-6-3-4-9-14(11)17(2)10-12-7-5-8-13(16)15(12)18/h3-9,18H,10H2,1-2H3
InChIKeyRBRSEUOQGVWMBJ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.48
Rot. Bonds3

About 2-[(N,2-dimethylanilino)methyl]-6-fluorophenol

2-[(N,2-dimethylanilino)methyl]-6-fluorophenol (PubChem CID 112616193) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[(N,2-dimethylanilino)methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
PubChem CID112616193
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
SMILESCc1ccccc1N(C)Cc1cccc(F)c1O
InChIInChI=1S/C15H16FNO/c1-11-6-3-4-9-14(11)17(2)10-12-7-5-8-13(16)15(12)18/h3-9,18H,10H2,1-2H3
InChIKeyRBRSEUOQGVWMBJ-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.48
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-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol
CID 112616199
(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol
CID 63371123
3-[(N,2-dimethylanilino)methyl]-2-fluorobenzonitrile
CID 107114943
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
CID 112616072
1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea
CID 87655528
N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide
CID 112616212
6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol
CID 20604839
N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 115463927
2-[(N-ethylanilino)methyl]-6-fluorophenol
CID 112616054
2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 39398782

Frequently Asked Questions

What is the IUPAC name of 2-[(N,2-dimethylanilino)methyl]-6-fluorophenol?
The IUPAC name of 2-[(N,2-dimethylanilino)methyl]-6-fluorophenol (CID 112616193) is 2-[(N,2-dimethylanilino)methyl]-6-fluorophenol.
What is the SMILES notation for 2-[(N,2-dimethylanilino)methyl]-6-fluorophenol?
The canonical SMILES for 2-[(N,2-dimethylanilino)methyl]-6-fluorophenol is Cc1ccccc1N(C)Cc1cccc(F)c1O.
What is the InChIKey of 2-[(N,2-dimethylanilino)methyl]-6-fluorophenol?
The InChIKey is RBRSEUOQGVWMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-6-3-4-9-14(11)17(2)10-12-7-5-8-13(16)15(12)18/h3-9,18H,10H2,1-2H3.
What are the key properties of 2-[(N,2-dimethylanilino)methyl]-6-fluorophenol?
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol has a molecular weight of 245.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N,2-dimethylanilino)methyl]-6-fluorophenol is sourced from PubChem (CID 112616193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).