1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine

C15H15ClFNO — CID 107457483

IUPAC1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(COc2cccc(Cl)c2)c1
InChIInChI=1S/C15H15ClFNO/c1-18-9-11-5-6-15(17)12(7-11)10-19-14-4-2-3-13(16)8-14/h2-8,18H,9-10H2,1H3
InChIKeyGYTHUHFMMNRFOZ-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.78
Rot. Bonds5

About 1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine

1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine (PubChem CID 107457483) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
PubChem CID107457483
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(COc2cccc(Cl)c2)c1
InChIInChI=1S/C15H15ClFNO/c1-18-9-11-5-6-15(17)12(7-11)10-19-14-4-2-3-13(16)8-14/h2-8,18H,9-10H2,1H3
InChIKeyGYTHUHFMMNRFOZ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457482
1-[3-[(3,4-difluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457584
1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457271
1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107457393
1-[3-[(3-bromo-4-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457922
1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62460997
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597
1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457535
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767
N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457585
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine (CID 107457483) is 1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine is CNCc1ccc(F)c(COc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is GYTHUHFMMNRFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-18-9-11-5-6-15(17)12(7-11)10-19-14-4-2-3-13(16)8-14/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine?
1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 279.74 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107457483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).