N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine

C15H15ClFNO — CID 81154570

IUPACN-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-2-18-10-11-6-7-15(14(16)8-11)19-13-5-3-4-12(17)9-13/h3-9,18H,2,10H2,1H3
InChIKeySTIVNGSZLMZSFC-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.38
Rot. Bonds5

About N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine

N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine (PubChem CID 81154570) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
PubChem CID81154570
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-2-18-10-11-6-7-15(14(16)8-11)19-13-5-3-4-12(17)9-13/h3-9,18H,2,10H2,1H3
InChIKeySTIVNGSZLMZSFC-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine
CID 81151403
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990193
N-[[3-chloro-4-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 81151266
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340
N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine
CID 81152008
N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43283217
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
CID 43283689
N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54038698
4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81152006
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 63551840
N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 54880707

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine (CID 81154570) is N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Oc2cccc(F)c2)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine?
The InChIKey is STIVNGSZLMZSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-18-10-11-6-7-15(14(16)8-11)19-13-5-3-4-12(17)9-13/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine?
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 81154570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).