1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine

C15H15ClFNO — CID 44562613

IUPAC1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1
InChIInChI=1S/C15H15ClFNO/c1-10-7-13(5-6-14(10)17)19-15-8-12(16)4-3-11(15)9-18-2/h3-8,18H,9H2,1-2H3
InChIKeyKUWISOBIRVPNDN-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.30
Rot. Bonds4

About 1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine

1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 44562613) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
PubChem CID44562613
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1
InChIInChI=1S/C15H15ClFNO/c1-10-7-13(5-6-14(10)17)19-15-8-12(16)4-3-11(15)9-18-2/h3-8,18H,9H2,1-2H3
InChIKeyKUWISOBIRVPNDN-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine (CID 44562613) is 1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1.
What is the InChIKey of 1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is KUWISOBIRVPNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-7-13(5-6-14(10)17)19-15-8-12(16)4-3-11(15)9-18-2/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 44562613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).