2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine

C16H17ClFNO2 — CID 60904969

IUPAC2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO2/c1-20-15-4-2-3-11(7-8-19)16(15)21-10-12-5-6-13(18)9-14(12)17/h2-6,9H,7-8,10,19H2,1H3
InChIKeyFLLGJQJMMZMKJU-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.57
Rot. Bonds6

About 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine

2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine (PubChem CID 60904969) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
PubChem CID60904969
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO2/c1-20-15-4-2-3-11(7-8-19)16(15)21-10-12-5-6-13(18)9-14(12)17/h2-6,9H,7-8,10,19H2,1H3
InChIKeyFLLGJQJMMZMKJU-UHFFFAOYSA-N
XLogP3.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine with MolForge

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Related Compounds

N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine
CID 17056803
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17056749
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17056706
(1S)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
CID 29187859
2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 61482172
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
(1S)-2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 29187906
2-[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]ethanamine
CID 115464688
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
[3-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 61389545

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine?
The IUPAC name of 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine (CID 60904969) is 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine is COc1cccc(CCN)c1OCc1ccc(F)cc1Cl.
What is the InChIKey of 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine?
The InChIKey is FLLGJQJMMZMKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-20-15-4-2-3-11(7-8-19)16(15)21-10-12-5-6-13(18)9-14(12)17/h2-6,9H,7-8,10,19H2,1H3.
What are the key properties of 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine?
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine has a molecular weight of 309.77 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 60904969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).