1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine

C16H18FNO — CID 105407476

IUPAC1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(Oc2ccc(F)cc2C)c1
InChIInChI=1S/C16H18FNO/c1-11-4-5-13(10-18-3)9-16(11)19-15-7-6-14(17)8-12(15)2/h4-9,18H,10H2,1-3H3
InChIKeyWHDHUYOBLHABBU-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.95
Rot. Bonds4

About 1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine

1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine (PubChem CID 105407476) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
PubChem CID105407476
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(Oc2ccc(F)cc2C)c1
InChIInChI=1S/C16H18FNO/c1-11-4-5-13(10-18-3)9-16(11)19-15-7-6-14(17)8-12(15)2/h4-9,18H,10H2,1-3H3
InChIKeyWHDHUYOBLHABBU-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-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-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
CID 107659646
1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63038179
1-[3-(5-chloro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407414
N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 105406518
1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407266
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
1-[3-(2,4-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406792
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802
1-[3-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 102981053
1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406718
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406547

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine (CID 105407476) is 1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine is CNCc1ccc(C)c(Oc2ccc(F)cc2C)c1.
What is the InChIKey of 1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine?
The InChIKey is WHDHUYOBLHABBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-4-5-13(10-18-3)9-16(11)19-15-7-6-14(17)8-12(15)2/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine?
1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 105407476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).