1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine

C15H15ClFNO — CID 63879873

IUPAC1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(F)c(Cl)c2)cc1C
InChIInChI=1S/C15H15ClFNO/c1-10-7-12(4-3-11(10)9-18-2)19-13-5-6-15(17)14(16)8-13/h3-8,18H,9H2,1-2H3
InChIKeyMRSJPHWZPQCRTQ-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.30
Rot. Bonds4

About 1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine

1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine (PubChem CID 63879873) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
PubChem CID63879873
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(F)c(Cl)c2)cc1C
InChIInChI=1S/C15H15ClFNO/c1-10-7-12(4-3-11(10)9-18-2)19-13-5-6-15(17)14(16)8-13/h3-8,18H,9H2,1-2H3
InChIKeyMRSJPHWZPQCRTQ-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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Related Compounds

1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55038504
1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55222155
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63552216
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62128798
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
1-[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 107659558
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
1-[4-(4-chloro-2-nitrophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62130681

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine (CID 63879873) is 1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine is CNCc1ccc(Oc2ccc(F)c(Cl)c2)cc1C.
What is the InChIKey of 1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine?
The InChIKey is MRSJPHWZPQCRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-7-12(4-3-11(10)9-18-2)19-13-5-6-15(17)14(16)8-13/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine?
1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-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-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 63879873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).