2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol

C14H13ClFNO — CID 112553733

IUPAC2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol
SMILESCc1ccc(NCc2cccc(Cl)c2O)cc1F
InChIInChI=1S/C14H13ClFNO/c1-9-5-6-11(7-13(9)16)17-8-10-3-2-4-12(15)14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyLADPSCIZJTWXTO-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.11
Rot. Bonds3

About 2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol

2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol (PubChem CID 112553733) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol
PubChem CID112553733
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol
SMILESCc1ccc(NCc2cccc(Cl)c2O)cc1F
InChIInChI=1S/C14H13ClFNO/c1-9-5-6-11(7-13(9)16)17-8-10-3-2-4-12(15)14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyLADPSCIZJTWXTO-UHFFFAOYSA-N
XLogP4.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 54.11
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-chloro-6-[(3-iodo-4-methylanilino)methyl]phenol
CID 112606492
2-chloro-6-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 112553741
2-chloro-6-[[4-chloro-3-(trifluoromethyl)anilino]methyl]phenol
CID 115951042
2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
CID 112553770
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398
2,4-dichloro-6-[(4-fluoro-3-methylanilino)methyl]phenol
CID 55119072
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
2-chloro-6-[(4-chloro-2-fluoroanilino)methyl]phenol
CID 112606494
N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 78997610
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220
2-methyl-6-[[4-methyl-3-(trifluoromethyl)anilino]methyl]phenol
CID 115951655
2-[(3-chloro-4-ethoxyanilino)methyl]-6-fluorophenol
CID 115951574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol (CID 112553733) is 2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol is Cc1ccc(NCc2cccc(Cl)c2O)cc1F.
What is the InChIKey of 2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol?
The InChIKey is LADPSCIZJTWXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9-5-6-11(7-13(9)16)17-8-10-3-2-4-12(15)14(10)18/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol?
2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol has a molecular weight of 265.72 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol is sourced from PubChem (CID 112553733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).