2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine

C19H24FNO2 — CID 83973179

IUPAC2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2ccc(F)cc2)c(OCC)c1
InChIInChI=1S/C19H24FNO2/c1-3-22-17-9-10-18(19(12-17)23-4-2)15(13-21)11-14-5-7-16(20)8-6-14/h5-10,12,15H,3-4,11,13,21H2,1-2H3
InChIKeyNRJSMCPOAUDSBT-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.91
Rot. Bonds8

About 2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine

2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine (PubChem CID 83973179) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
PubChem CID83973179
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2ccc(F)cc2)c(OCC)c1
InChIInChI=1S/C19H24FNO2/c1-3-22-17-9-10-18(19(12-17)23-4-2)15(13-21)11-14-5-7-16(20)8-6-14/h5-10,12,15H,3-4,11,13,21H2,1-2H3
InChIKeyNRJSMCPOAUDSBT-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83974935
2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine
CID 83973201
3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974449
2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83974319
3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974368
4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol
CID 83975161
2-(2,4-difluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 112539034
N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 54803870
3-(3-butoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974462
2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 83975158
2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83974775

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine (CID 83973179) is 2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine is CCOc1ccc(C(CN)Cc2ccc(F)cc2)c(OCC)c1.
What is the InChIKey of 2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is NRJSMCPOAUDSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-3-22-17-9-10-18(19(12-17)23-4-2)15(13-21)11-14-5-7-16(20)8-6-14/h5-10,12,15H,3-4,11,13,21H2,1-2H3.
What are the key properties of 2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine?
2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 317.40 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 83973179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).