2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine

C16H17ClFNO2 — CID 60971172

IUPAC2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCCOc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H17ClFNO2/c17-15-11-13(18)3-6-16(15)21-10-9-20-14-4-1-12(2-5-14)7-8-19/h1-6,11H,7-10,19H2
InChIKeyYVPDIKPKAMRIJX-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.44
Rot. Bonds7

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

2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine (PubChem CID 60971172) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine
PubChem CID60971172
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCCOc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H17ClFNO2/c17-15-11-13(18)3-6-16(15)21-10-9-20-14-4-1-12(2-5-14)7-8-19/h1-6,11H,7-10,19H2
InChIKeyYVPDIKPKAMRIJX-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine
CID 43531012
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496
2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene
CID 56627522
2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63941559
2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
CID 107700188
2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114348483
2-(2-chloro-4-fluorophenoxy)ethanethiol
CID 79019887
[4-[3-(2-bromo-4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43531037
2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353296

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine (CID 60971172) is 2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine is NCCc1ccc(OCCOc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is YVPDIKPKAMRIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c17-15-11-13(18)3-6-16(15)21-10-9-20-14-4-1-12(2-5-14)7-8-19/h1-6,11H,7-10,19H2.
What are the key properties of 2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine?
2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 309.77 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 60971172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).