N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine

C16H17ClFNO — CID 43282990

IUPACN-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H17ClFNO/c1-2-9-19-11-12-3-8-16(15(18)10-12)20-14-6-4-13(17)5-7-14/h3-8,10,19H,2,9,11H2,1H3
InChIKeyBOBBFSQSWXTUSP-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.77
Rot. Bonds6

About N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine

N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine (PubChem CID 43282990) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine
PubChem CID43282990
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H17ClFNO/c1-2-9-19-11-12-3-8-16(15(18)10-12)20-14-6-4-13(17)5-7-14/h3-8,10,19H,2,9,11H2,1H3
InChIKeyBOBBFSQSWXTUSP-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-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

N-[[4-(3,5-dimethylphenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43283078
N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283286
N-[[4-(3-chloro-4-fluorophenoxy)-3-methylphenyl]methyl]propan-1-amine
CID 63877804
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 63551840
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
CID 43283304
N-[[4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 63550749
N-[[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 107285167
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63070975
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43282969

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine (CID 43282990) is N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine is CCCNCc1ccc(Oc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine?
The InChIKey is BOBBFSQSWXTUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-2-9-19-11-12-3-8-16(15(18)10-12)20-14-6-4-13(17)5-7-14/h3-8,10,19H,2,9,11H2,1H3.
What are the key properties of N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine?
N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine has a molecular weight of 293.77 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 43282990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).