N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine

C18H22FNO — CID 43505172

IUPACN-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
SMILESCCNC(C)c1cc(C)ccc1OCc1ccccc1F
InChIInChI=1S/C18H22FNO/c1-4-20-14(3)16-11-13(2)9-10-18(16)21-12-15-7-5-6-8-17(15)19/h5-11,14,20H,4,12H2,1-3H3
InChIKeyREHFQOGNLFHXLP-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.38
Rot. Bonds6

About N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine

N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine (PubChem CID 43505172) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
PubChem CID43505172
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
SMILESCCNC(C)c1cc(C)ccc1OCc1ccccc1F
InChIInChI=1S/C18H22FNO/c1-4-20-14(3)16-11-13(2)9-10-18(16)21-12-15-7-5-6-8-17(15)19/h5-11,14,20H,4,12H2,1-3H3
InChIKeyREHFQOGNLFHXLP-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]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-ethyl-1-[5-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63934918
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 63500464
1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326290
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
CID 43505197
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108510628

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine (CID 43505172) is N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine is CCNC(C)c1cc(C)ccc1OCc1ccccc1F.
What is the InChIKey of N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine?
The InChIKey is REHFQOGNLFHXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-20-14(3)16-11-13(2)9-10-18(16)21-12-15-7-5-6-8-17(15)19/h5-11,14,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine?
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine is sourced from PubChem (CID 43505172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).