2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol

C14H13ClFNO — CID 112616199

IUPAC2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol
SMILESCN(Cc1cccc(Cl)c1O)c1ccccc1F
InChIInChI=1S/C14H13ClFNO/c1-17(13-8-3-2-7-12(13)16)9-10-5-4-6-11(15)14(10)18/h2-8,18H,9H2,1H3
InChIKeyIZILTWDNNKRTGJ-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.82
Rot. Bonds3

About 2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol

2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol (PubChem CID 112616199) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol
PubChem CID112616199
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol
SMILESCN(Cc1cccc(Cl)c1O)c1ccccc1F
InChIInChI=1S/C14H13ClFNO/c1-17(13-8-3-2-7-12(13)16)9-10-5-4-6-11(15)14(10)18/h2-8,18H,9H2,1H3
InChIKeyIZILTWDNNKRTGJ-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.82
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-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 63540974
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
3-[(2-fluoro-N-methylanilino)methyl]phenol
CID 82978376
2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide
CID 63585311
3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
CID 64768467
4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol
CID 82958062
1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one
CID 62644011
1-[3-chloro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 62909660
2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 112616300
2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide
CID 112553294

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol (CID 112616199) is 2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol is CN(Cc1cccc(Cl)c1O)c1ccccc1F.
What is the InChIKey of 2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol?
The InChIKey is IZILTWDNNKRTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-17(13-8-3-2-7-12(13)16)9-10-5-4-6-11(15)14(10)18/h2-8,18H,9H2,1H3.
What are the key properties of 2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol?
2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol has a molecular weight of 265.72 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol is sourced from PubChem (CID 112616199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).