1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine

C15H14ClF2NO — CID 82918677

IUPAC1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-19-8-10-3-5-15(12(16)6-10)20-9-11-2-4-13(17)14(18)7-11/h2-7,19H,8-9H2,1H3
InChIKeyQWINKYQYKJFDRP-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.92
Rot. Bonds5

About 1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine

1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 82918677) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID82918677
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-19-8-10-3-5-15(12(16)6-10)20-9-11-2-4-13(17)14(18)7-11/h2-7,19H,8-9H2,1H3
InChIKeyQWINKYQYKJFDRP-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107879997
1-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772
1-[3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741707
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141
1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 82918461
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
1-[3-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459792
1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride
CID 132843394

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine (CID 82918677) is 1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCc2ccc(F)c(F)c2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is QWINKYQYKJFDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-19-8-10-3-5-15(12(16)6-10)20-9-11-2-4-13(17)14(18)7-11/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 297.73 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 82918677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).