1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine

C15H15ClFNO — CID 82727211

IUPAC1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C15H15ClFNO/c1-18-9-11-2-4-12(5-3-11)10-19-13-6-7-14(16)15(17)8-13/h2-8,18H,9-10H2,1H3
InChIKeyDNYYLDCLJNGODT-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.78
Rot. Bonds5

About 1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine

1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine (PubChem CID 82727211) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
PubChem CID82727211
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C15H15ClFNO/c1-18-9-11-2-4-12(5-3-11)10-19-13-6-7-14(16)15(17)8-13/h2-8,18H,9-10H2,1H3
InChIKeyDNYYLDCLJNGODT-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

1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 107879633
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
1-[5-[(4-chloro-3-fluorophenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107559178
magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide
CID 91656484
N-[[3-[(4-chloro-3-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 82727587
1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63497021
1-[3-[(3,4-difluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457584
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
3-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 82717242
2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
CID 82716215
1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469619

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine (CID 82727211) is 1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine is CNCc1ccc(COc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The InChIKey is DNYYLDCLJNGODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-18-9-11-2-4-12(5-3-11)10-19-13-6-7-14(16)15(17)8-13/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-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-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 82727211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).