N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine

C17H20FNO2 — CID 61032524

IUPACN-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc(OC)cc2OC)ccc1F
InChIInChI=1S/C17H20FNO2/c1-4-19-11-13-9-12(5-8-16(13)18)15-7-6-14(20-2)10-17(15)21-3/h5-10,19H,4,11H2,1-3H3
InChIKeyQXEZYKPOAUSICC-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.62
Rot. Bonds6

About N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine

N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine (PubChem CID 61032524) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
PubChem CID61032524
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc(OC)cc2OC)ccc1F
InChIInChI=1S/C17H20FNO2/c1-4-19-11-13-9-12(5-8-16(13)18)15-7-6-14(20-2)10-17(15)21-3/h5-10,19H,4,11H2,1-3H3
InChIKeyQXEZYKPOAUSICC-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]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-[[5-(3,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61026053
N-[[2-fluoro-5-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033006
N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 116810961
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
3-[3-(ethylaminomethyl)-4-fluorophenyl]-4-methoxybenzonitrile
CID 106951097
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
N-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine
CID 166247477
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
N-[[2-fluoro-5-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425036
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine (CID 61032524) is N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine is CCNCc1cc(-c2ccc(OC)cc2OC)ccc1F.
What is the InChIKey of N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine?
The InChIKey is QXEZYKPOAUSICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-4-19-11-13-9-12(5-8-16(13)18)15-7-6-14(20-2)10-17(15)21-3/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine?
N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 61032524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).