2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine

C18H22FNO — CID 83974319

IUPAC2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H22FNO/c1-3-21-17-7-8-18(13(2)9-17)15(12-20)10-14-5-4-6-16(19)11-14/h4-9,11,15H,3,10,12,20H2,1-2H3
InChIKeyGXPLRDBYXUWXIZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.82
Rot. Bonds6

About 2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine

2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine (PubChem CID 83974319) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
PubChem CID83974319
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H22FNO/c1-3-21-17-7-8-18(13(2)9-17)15(12-20)10-14-5-4-6-16(19)11-14/h4-9,11,15H,3,10,12,20H2,1-2H3
InChIKeyGXPLRDBYXUWXIZ-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline
CID 114829365
3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol
CID 83974181
1-(4-ethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61099189
2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83973179
3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975609
2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83974291
3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 82140480
2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83974775
2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine
CID 83973201
3-(4-butoxyphenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974227

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine (CID 83974319) is 2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine is CCOc1ccc(C(CN)Cc2cccc(F)c2)c(C)c1.
What is the InChIKey of 2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is GXPLRDBYXUWXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-21-17-7-8-18(13(2)9-17)15(12-20)10-14-5-4-6-16(19)11-14/h4-9,11,15H,3,10,12,20H2,1-2H3.
What are the key properties of 2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine?
2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 83974319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).