1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine

C15H15ClFNO — CID 82541770

IUPAC1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine
SMILESCOc1ccc(F)cc1-c1cc(C(C)N)ccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-9(18)10-3-5-14(16)12(7-10)13-8-11(17)4-6-15(13)19-2/h3-9H,18H2,1-2H3
InChIKeyHBHQEDFNZLMWOI-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.17
Rot. Bonds3

About 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine

1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine (PubChem CID 82541770) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine
PubChem CID82541770
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine
SMILESCOc1ccc(F)cc1-c1cc(C(C)N)ccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-9(18)10-3-5-14(16)12(7-10)13-8-11(17)4-6-15(13)19-2/h3-9H,18H2,1-2H3
InChIKeyHBHQEDFNZLMWOI-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541808
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
CID 82540185
1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541809
1-chloro-2-(5-ethynyl-2-methoxyphenyl)-4-fluorobenzene
CID 172653850
1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine
CID 82541962
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine
CID 82541998
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63047550
2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441083

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine?
The IUPAC name of 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine (CID 82541770) is 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine is COc1ccc(F)cc1-c1cc(C(C)N)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine?
The InChIKey is HBHQEDFNZLMWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9(18)10-3-5-14(16)12(7-10)13-8-11(17)4-6-15(13)19-2/h3-9H,18H2,1-2H3.
What are the key properties of 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine?
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 82541770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).