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

C16H17ClFNO — CID 62450280

IUPACN-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1COc1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-2-19-10-12-5-3-4-6-13(12)11-20-16-8-7-14(18)9-15(16)17/h3-9,19H,2,10-11H2,1H3
InChIKeyZBDIEEOXVMXQDV-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.17
Rot. Bonds6

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

N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine (PubChem CID 62450280) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
PubChem CID62450280
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1COc1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-2-19-10-12-5-3-4-6-13(12)11-20-16-8-7-14(18)9-15(16)17/h3-9,19H,2,10-11H2,1H3
InChIKeyZBDIEEOXVMXQDV-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62451825
N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 54880707
N-[[2-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 107660992
N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
2-[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]ethanamine
CID 115464688
(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996946
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952569
N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63496855
N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 63497555
N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 106861648
N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63273146
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 102986344

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine (CID 62450280) is N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1COc1ccc(F)cc1Cl.
What is the InChIKey of N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine?
The InChIKey is ZBDIEEOXVMXQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-2-19-10-12-5-3-4-6-13(12)11-20-16-8-7-14(18)9-15(16)17/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine?
N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.17, 6 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)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62450280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).