3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol

C14H13ClFNO — CID 82978191

IUPAC3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol
SMILESCN(Cc1c(O)cccc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H13ClFNO/c1-17(11-5-2-4-10(16)8-11)9-12-13(15)6-3-7-14(12)18/h2-8,18H,9H2,1H3
InChIKeyXLVHQIWAUIHZNW-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.82
Rot. Bonds3

About 3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol

3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol (PubChem CID 82978191) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol
PubChem CID82978191
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol
SMILESCN(Cc1c(O)cccc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H13ClFNO/c1-17(11-5-2-4-10(16)8-11)9-12-13(15)6-3-7-14(12)18/h2-8,18H,9H2,1H3
InChIKeyXLVHQIWAUIHZNW-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'}

Analyze 3-chloro-2-[(3-fluoro-N-methylanilino)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

N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
CID 102662908
N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline
CID 79255179
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82977349
4-bromo-2-[(3-fluoro-N-methylanilino)methyl]-6-methylphenol
CID 112621834
6-[(3-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243204
1-(3-fluoro-N-methylanilino)butan-2-one
CID 62038249
3-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 114322202
4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 62945834
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carboxylic acid
CID 55183444
3-fluoro-N,N-dimethylaniline;methane
CID 157466440

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol?
The IUPAC name of 3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol (CID 82978191) is 3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol.
What is the SMILES notation for 3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol?
The canonical SMILES for 3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol is CN(Cc1c(O)cccc1Cl)c1cccc(F)c1.
What is the InChIKey of 3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol?
The InChIKey is XLVHQIWAUIHZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-17(11-5-2-4-10(16)8-11)9-12-13(15)6-3-7-14(12)18/h2-8,18H,9H2,1H3.
What are the key properties of 3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol?
3-chloro-2-[(3-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 3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol is sourced from PubChem (CID 82978191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).