N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine

C17H20FNO2 — CID 43182657

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2cccc(F)c2)c(OC)c1
InChIInChI=1S/C17H20FNO2/c1-12(13-5-4-6-15(18)9-13)19-11-14-7-8-16(20-2)10-17(14)21-3/h4-10,12,19H,11H2,1-3H3
InChIKeyQNQASKUCSZSDJY-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.69
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 43182657) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID43182657
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2cccc(F)c2)c(OC)c1
InChIInChI=1S/C17H20FNO2/c1-12(13-5-4-6-15(18)9-13)19-11-14-7-8-16(20-2)10-17(14)21-3/h4-10,12,19H,11H2,1-3H3
InChIKeyQNQASKUCSZSDJY-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)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

2-[[1-(3-fluorophenyl)ethylamino]methyl]-5-methoxyphenol
CID 61262310
(1S)-N-[(2,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81375876
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43406776
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 105371258
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 102615845
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43217110
(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81368416
1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
1,5-bis[(2,4-dimethoxyphenyl)methylamino]-2,4-bis(3-fluorophenyl)pentan-3-one
CID 174559527
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
4-chloro-2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methoxyphenol
CID 104663938

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine (CID 43182657) is N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine is COc1ccc(CNC(C)c2cccc(F)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is QNQASKUCSZSDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(13-5-4-6-15(18)9-13)19-11-14-7-8-16(20-2)10-17(14)21-3/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine?
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 43182657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).