4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine

C17H13ClFNO — CID 107878057

IUPAC4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine
SMILESNc1ccc(OCc2ccc(Cl)c(F)c2)c2ccccc12
InChIInChI=1S/C17H13ClFNO/c18-14-6-5-11(9-15(14)19)10-21-17-8-7-16(20)12-3-1-2-4-13(12)17/h1-9H,10,20H2
InChIKeyZUOURQSCRSJIAP-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.79
Rot. Bonds3

About 4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine

4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine (PubChem CID 107878057) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine
PubChem CID107878057
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine
SMILESNc1ccc(OCc2ccc(Cl)c(F)c2)c2ccccc12
InChIInChI=1S/C17H13ClFNO/c18-14-6-5-11(9-15(14)19)10-21-17-8-7-16(20)12-3-1-2-4-13(12)17/h1-9H,10,20H2
InChIKeyZUOURQSCRSJIAP-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine 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-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
4-[(4-ethylphenyl)methoxy]naphthalen-1-amine
CID 63690640
3-[(4-chloronaphthalen-1-yl)oxymethyl]-5-fluoroaniline
CID 115980190
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107882860
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107885526
methyl 4-amino-3-[(4-chloro-3-fluorophenyl)methoxy]benzoate
CID 107882843
5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline
CID 66076942
[3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine
CID 43804629

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine?
The IUPAC name of 4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine (CID 107878057) is 4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine?
The canonical SMILES for 4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine is Nc1ccc(OCc2ccc(Cl)c(F)c2)c2ccccc12.
What is the InChIKey of 4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine?
The InChIKey is ZUOURQSCRSJIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-14-6-5-11(9-15(14)19)10-21-17-8-7-16(20)12-3-1-2-4-13(12)17/h1-9H,10,20H2.
What are the key properties of 4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine?
4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine has a molecular weight of 301.75 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine is sourced from PubChem (CID 107878057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).