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

C18H22FNO3 — CID 83973785

IUPAC2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(OC)c(OC)cc1CC(CN)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO3/c1-21-16-10-18(23-3)17(22-2)9-13(16)8-14(11-20)12-4-6-15(19)7-5-12/h4-7,9-10,14H,8,11,20H2,1-3H3
InChIKeyXOHBTWDLHMEANA-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.14
Rot. Bonds7

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

2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine (PubChem CID 83973785) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
PubChem CID83973785
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(OC)c(OC)cc1CC(CN)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO3/c1-21-16-10-18(23-3)17(22-2)9-13(16)8-14(11-20)12-4-6-15(19)7-5-12/h4-7,9-10,14H,8,11,20H2,1-3H3
InChIKeyXOHBTWDLHMEANA-UHFFFAOYSA-N
XLogP3.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83972538
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine
CID 82160549
4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol
CID 82160859
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83973696
2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 83973798
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820
3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 102619951
1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol
CID 112518377

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine (CID 83973785) is 2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine is COc1cc(OC)c(OC)cc1CC(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine?
The InChIKey is XOHBTWDLHMEANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-21-16-10-18(23-3)17(22-2)9-13(16)8-14(11-20)12-4-6-15(19)7-5-12/h4-7,9-10,14H,8,11,20H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine?
2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine has a molecular weight of 319.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).