3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine

C19H24FNO3 — CID 83973627

IUPAC3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2ccc(OC)c(F)c2)cc1OC
InChIInChI=1S/C19H24FNO3/c1-4-24-18-7-5-13(10-19(18)23-3)9-15(12-21)14-6-8-17(22-2)16(20)11-14/h5-8,10-11,15H,4,9,12,21H2,1-3H3
InChIKeyWMBWTXMQQIYDSR-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.53
Rot. Bonds8

About 3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine

3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine (PubChem CID 83973627) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
PubChem CID83973627
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2ccc(OC)c(F)c2)cc1OC
InChIInChI=1S/C19H24FNO3/c1-4-24-18-7-5-13(10-19(18)23-3)9-15(12-21)14-6-8-17(22-2)16(20)11-14/h5-8,10-11,15H,4,9,12,21H2,1-3H3
InChIKeyWMBWTXMQQIYDSR-UHFFFAOYSA-N
XLogP3.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 112538891
2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973653
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
CID 83974029
2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83975700
2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
CID 112538879

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine (CID 83973627) is 3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine is CCOc1ccc(CC(CN)c2ccc(OC)c(F)c2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine?
The InChIKey is WMBWTXMQQIYDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-4-24-18-7-5-13(10-19(18)23-3)9-15(12-21)14-6-8-17(22-2)16(20)11-14/h5-8,10-11,15H,4,9,12,21H2,1-3H3.
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine?
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine has a molecular weight of 333.40 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).