N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine

C15H15ClFNO — CID 54880707

IUPACN-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFNO/c1-2-18-10-11-5-3-4-6-14(11)19-15-8-7-12(17)9-13(15)16/h3-9,18H,2,10H2,1H3
InChIKeyGVYQNAMYILRNPG-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.38
Rot. Bonds5

About N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine

N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine (PubChem CID 54880707) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
PubChem CID54880707
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFNO/c1-2-18-10-11-5-3-4-6-14(11)19-15-8-7-12(17)9-13(15)16/h3-9,18H,2,10H2,1H3
InChIKeyGVYQNAMYILRNPG-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-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450280
N-[[5-fluoro-2-(2,4,5-trichlorophenoxy)phenyl]methyl]ethanamine
CID 43314088
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990039
1-[2-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087875
N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
CID 114855205
N-[[2-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283282
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990193
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
CID 63532134
N-[[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62451825

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine (CID 54880707) is N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine is CCNCc1ccccc1Oc1ccc(F)cc1Cl.
What is the InChIKey of N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine?
The InChIKey is GVYQNAMYILRNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-18-10-11-5-3-4-6-14(11)19-15-8-7-12(17)9-13(15)16/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine?
N-[[2-(2-chloro-4-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-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 54880707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).