3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline

C14H13ClFNO — CID 112646463

IUPAC3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline
SMILESNc1cc(F)cc(COCc2ccccc2Cl)c1
InChIInChI=1S/C14H13ClFNO/c15-14-4-2-1-3-11(14)9-18-8-10-5-12(16)7-13(17)6-10/h1-7H,8-9,17H2
InChIKeyQYDSXFCYJXMMKY-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.78
Rot. Bonds4

About 3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline

3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline (PubChem CID 112646463) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline
PubChem CID112646463
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline
SMILESNc1cc(F)cc(COCc2ccccc2Cl)c1
InChIInChI=1S/C14H13ClFNO/c15-14-4-2-1-3-11(14)9-18-8-10-5-12(16)7-13(17)6-10/h1-7H,8-9,17H2
InChIKeyQYDSXFCYJXMMKY-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline 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

3-[(2-chlorophenyl)methoxy]-5-fluoroaniline
CID 80752307
3-[(3-chloro-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 116688699
3-N-[(2-chlorophenyl)methyl]-5-fluorobenzene-1,3-diamine
CID 60875169
[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine
CID 43530931
3-[(4-chloronaphthalen-1-yl)oxymethyl]-5-fluoroaniline
CID 115980190
3-[(2-chloro-4-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646523
4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline
CID 43519712
2-chloro-6-(phenylmethoxymethyl)aniline
CID 14155410
2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline
CID 102902193
2-chloro-4-[(2-chlorophenyl)methoxymethyl]pyridine
CID 62472103
3-[(2-chlorophenyl)methylsulfinyl]-5-fluoroaniline
CID 81182107
8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine
CID 29062536

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline?
The IUPAC name of 3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline (CID 112646463) is 3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline?
The canonical SMILES for 3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline is Nc1cc(F)cc(COCc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline?
The InChIKey is QYDSXFCYJXMMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-14-4-2-1-3-11(14)9-18-8-10-5-12(16)7-13(17)6-10/h1-7H,8-9,17H2.
What are the key properties of 3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline?
3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline has a molecular weight of 265.72 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline is sourced from PubChem (CID 112646463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).