1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine

C16H17ClFNO — CID 106861888

IUPAC1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine
SMILESCc1ccc(COc2ccc(F)cc2C(C)N)c(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-10-3-4-12(15(17)7-10)9-20-16-6-5-13(18)8-14(16)11(2)19/h3-8,11H,9,19H2,1-2H3
InChIKeyGTMZNWCKGGBBDE-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.39
Rot. Bonds4

About 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine

1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine (PubChem CID 106861888) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine
PubChem CID106861888
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine
SMILESCc1ccc(COc2ccc(F)cc2C(C)N)c(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-10-3-4-12(15(17)7-10)9-20-16-6-5-13(18)8-14(16)11(2)19/h3-8,11H,9,19H2,1-2H3
InChIKeyGTMZNWCKGGBBDE-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861855
4-[[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]methyl]-3-chlorobenzonitrile
CID 102663705
(1R)-1-[2-[(2,5-difluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63367183
(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine
CID 78938414
(1R)-1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615238
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 104862272
1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 60627601
(1S)-1-[4-bromo-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861964
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 104862274
(1S)-1-[4-[(2-chloro-4-methylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718907

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine (CID 106861888) is 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine is Cc1ccc(COc2ccc(F)cc2C(C)N)c(Cl)c1.
What is the InChIKey of 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine?
The InChIKey is GTMZNWCKGGBBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-3-4-12(15(17)7-10)9-20-16-6-5-13(18)8-14(16)11(2)19/h3-8,11H,9,19H2,1-2H3.
What are the key properties of 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine?
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine is sourced from PubChem (CID 106861888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).