1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine

C16H17ClFNO — CID 103046479

IUPAC1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1cc(C(C)N)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H17ClFNO/c1-10-7-12(11(2)19)3-6-16(10)20-9-13-8-14(17)4-5-15(13)18/h3-8,11H,9,19H2,1-2H3
InChIKeyLZBQBROMJNJYAP-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.39
Rot. Bonds4

About 1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine

1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine (PubChem CID 103046479) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
PubChem CID103046479
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1cc(C(C)N)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H17ClFNO/c1-10-7-12(11(2)19)3-6-16(10)20-9-13-8-14(17)4-5-15(13)18/h3-8,11H,9,19H2,1-2H3
InChIKeyLZBQBROMJNJYAP-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

1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 82092954
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758
(1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103046500
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
(1R)-1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937359
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
(1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 104862282
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 79582746
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 104980107
3-[(4-chloro-2-methylphenoxy)methyl]-4-fluorobenzoic acid
CID 63531486
(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 78955044

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The IUPAC name of 1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine (CID 103046479) is 1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine.
What is the SMILES notation for 1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The canonical SMILES for 1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine is Cc1cc(C(C)N)ccc1OCc1cc(Cl)ccc1F.
What is the InChIKey of 1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The InChIKey is LZBQBROMJNJYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-7-12(11(2)19)3-6-16(10)20-9-13-8-14(17)4-5-15(13)18/h3-8,11H,9,19H2,1-2H3.
What are the key properties of 1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]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-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine is sourced from PubChem (CID 103046479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).