1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine

C16H17F2NO2 — CID 79881861

IUPAC1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCc2ccc(OC)cc2)c(F)c1
InChIInChI=1S/C16H17F2NO2/c1-19-9-12-7-14(17)16(15(18)8-12)21-10-11-3-5-13(20-2)6-4-11/h3-8,19H,9-10H2,1-2H3
InChIKeySXEFERKYDAENDO-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.27
Rot. Bonds6

About 1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine

1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 79881861) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID79881861
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCc2ccc(OC)cc2)c(F)c1
InChIInChI=1S/C16H17F2NO2/c1-19-9-12-7-14(17)16(15(18)8-12)21-10-11-3-5-13(20-2)6-4-11/h3-8,19H,9-10H2,1-2H3
InChIKeySXEFERKYDAENDO-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891483
1-[3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741707
1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79881837
1-[3,5-difluoro-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79891486
1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 80698852
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 82727211
1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891927
1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
CID 60878557
methyl 3-bromo-5-fluoro-4-[(4-methoxyphenyl)methoxy]benzoate
CID 57467636
N-[[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 79882222
1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 106861886
1-[4-[(2,6-dimethoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62450181

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine (CID 79881861) is 1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(F)c(OCc2ccc(OC)cc2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is SXEFERKYDAENDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-19-9-12-7-14(17)16(15(18)8-12)21-10-11-3-5-13(20-2)6-4-11/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 293.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 79881861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).