1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine

C14H13F2NO — CID 63076148

IUPAC1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(F)c(Oc2ccccc2)c(F)c1
InChIInChI=1S/C14H13F2NO/c1-17-9-10-7-12(15)14(13(16)8-10)18-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3
InChIKeyAQYOEHPLXRASJG-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.48
Rot. Bonds4

About 1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine

1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine (PubChem CID 63076148) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine
PubChem CID63076148
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(F)c(Oc2ccccc2)c(F)c1
InChIInChI=1S/C14H13F2NO/c1-17-9-10-7-12(15)14(13(16)8-10)18-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3
InChIKeyAQYOEHPLXRASJG-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 55146406
1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine
CID 63077723
N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 63075795
1-[3,5-difluoro-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79891486
N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63075624
N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
CID 63550530
1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 80698852
1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79881861
1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79881837
1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891483
1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283755
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 83234561

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine (CID 63076148) is 1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine is CNCc1cc(F)c(Oc2ccccc2)c(F)c1.
What is the InChIKey of 1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine?
The InChIKey is AQYOEHPLXRASJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-17-9-10-7-12(15)14(13(16)8-10)18-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3.
What are the key properties of 1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine?
1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine has a molecular weight of 249.26 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 63076148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).