2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine

C21H22FNO — CID 83973596

IUPAC2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine
SMILESCCOc1ccc(C(CN)Cc2cccc3ccccc23)cc1F
InChIInChI=1S/C21H22FNO/c1-2-24-21-11-10-16(13-20(21)22)18(14-23)12-17-8-5-7-15-6-3-4-9-19(15)17/h3-11,13,18H,2,12,14,23H2,1H3
InChIKeyRCOYLWITWYETMH-UHFFFAOYSA-N
MW323.41 g/mol
LogP4.66
Rot. Bonds6

About 2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine

2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine (PubChem CID 83973596) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine
PubChem CID83973596
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC Name2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine
SMILESCCOc1ccc(C(CN)Cc2cccc3ccccc23)cc1F
InChIInChI=1S/C21H22FNO/c1-2-24-21-11-10-16(13-20(21)22)18(14-23)12-17-8-5-7-15-6-3-4-9-19(15)17/h3-11,13,18H,2,12,14,23H2,1H3
InChIKeyRCOYLWITWYETMH-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine 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-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
CID 112538879
2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974158
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975628
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974910
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine?
The IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine (CID 83973596) is 2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine.
What is the SMILES notation for 2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine?
The canonical SMILES for 2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine is CCOc1ccc(C(CN)Cc2cccc3ccccc23)cc1F.
What is the InChIKey of 2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine?
The InChIKey is RCOYLWITWYETMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO/c1-2-24-21-11-10-16(13-20(21)22)18(14-23)12-17-8-5-7-15-6-3-4-9-19(15)17/h3-11,13,18H,2,12,14,23H2,1H3.
What are the key properties of 2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine?
2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine has a molecular weight of 323.41 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine is sourced from PubChem (CID 83973596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).