1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine

C15H15ClFNO — CID 107686447

IUPAC1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-18-9-12-4-7-15(14(17)8-12)19-10-11-2-5-13(16)6-3-11/h2-8,18H,9-10H2,1H3
InChIKeyICIBVNMUTMNDMF-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.78
Rot. Bonds5

About 1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine

1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine (PubChem CID 107686447) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
PubChem CID107686447
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-18-9-12-4-7-15(14(17)8-12)19-10-11-2-5-13(16)6-3-11/h2-8,18H,9-10H2,1H3
InChIKeyICIBVNMUTMNDMF-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-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 82918677
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686671
1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43622080
1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686603
1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686784
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457535
1-[3-fluoro-4-(2,4,5-trichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282453

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine (CID 107686447) is 1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(OCc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is ICIBVNMUTMNDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-18-9-12-4-7-15(14(17)8-12)19-10-11-2-5-13(16)6-3-11/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
1-[4-[(4-chlorophenyl)methoxy]-3-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-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107686447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).