N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine

C16H18FNO — CID 105406669

IUPACN-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Oc2ccccc2F)c1
InChIInChI=1S/C16H18FNO/c1-3-18-11-13-9-8-12(2)16(10-13)19-15-7-5-4-6-14(15)17/h4-10,18H,3,11H2,1-2H3
InChIKeyDNFGPQRFGKDIPO-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.04
Rot. Bonds5

About N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine

N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine (PubChem CID 105406669) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
PubChem CID105406669
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Oc2ccccc2F)c1
InChIInChI=1S/C16H18FNO/c1-3-18-11-13-9-8-12(2)16(10-13)19-15-7-5-4-6-14(15)17/h4-10,18H,3,11H2,1-2H3
InChIKeyDNFGPQRFGKDIPO-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine 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

N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 107169882
N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
CID 63552188
2-[3-(2-fluorophenoxy)-4-methylphenyl]ethanamine
CID 105410974
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990193
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990039
N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine
CID 105406973
N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406870
N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406443
N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 105407022
N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 64855811
N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62297821

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine (CID 105406669) is N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine is CCNCc1ccc(C)c(Oc2ccccc2F)c1.
What is the InChIKey of N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine?
The InChIKey is DNFGPQRFGKDIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-18-11-13-9-8-12(2)16(10-13)19-15-7-5-4-6-14(15)17/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine?
N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 105406669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).