2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine

C19H24FNO — CID 83974935

IUPAC2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
SMILESCCOc1cc(C)c(C)cc1C(CN)Cc1ccc(F)cc1
InChIInChI=1S/C19H24FNO/c1-4-22-19-10-14(3)13(2)9-18(19)16(12-21)11-15-5-7-17(20)8-6-15/h5-10,16H,4,11-12,21H2,1-3H3
InChIKeyVDMLHEVUCXVSFS-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.13
Rot. Bonds6

About 2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine

2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine (PubChem CID 83974935) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
PubChem CID83974935
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC Name2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
SMILESCCOc1cc(C)c(C)cc1C(CN)Cc1ccc(F)cc1
InChIInChI=1S/C19H24FNO/c1-4-22-19-10-14(3)13(2)9-18(19)16(12-21)11-15-5-7-17(20)8-6-15/h5-10,16H,4,11-12,21H2,1-3H3
InChIKeyVDMLHEVUCXVSFS-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83973179
2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83974956
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83974871
3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974869
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol
CID 83975161
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
CID 66516824

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine (CID 83974935) is 2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine is CCOc1cc(C)c(C)cc1C(CN)Cc1ccc(F)cc1.
What is the InChIKey of 2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is VDMLHEVUCXVSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-4-22-19-10-14(3)13(2)9-18(19)16(12-21)11-15-5-7-17(20)8-6-15/h5-10,16H,4,11-12,21H2,1-3H3.
What are the key properties of 2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine?
2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 301.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 83974935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).