2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine

C12H18FNO2 — CID 112512177

IUPAC2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine
SMILESCCOc1ccc(C(CNC)OC)cc1F
InChIInChI=1S/C12H18FNO2/c1-4-16-11-6-5-9(7-10(11)13)12(15-3)8-14-2/h5-7,12,14H,4,8H2,1-3H3
InChIKeySIDQOBINMDJFKD-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.13
Rot. Bonds6

About 2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine

2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine (PubChem CID 112512177) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine
PubChem CID112512177
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine
SMILESCCOc1ccc(C(CNC)OC)cc1F
InChIInChI=1S/C12H18FNO2/c1-4-16-11-6-5-9(7-10(11)13)12(15-3)8-14-2/h5-7,12,14H,4,8H2,1-3H3
InChIKeySIDQOBINMDJFKD-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-fluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950328
1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 112512391
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396
(4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943546
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
2-(4-ethoxy-2,5-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 112512308
1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826759
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
2-(2,4-difluorophenyl)-2-methoxy-N-methylethanamine
CID 53276205
1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487683
3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide
CID 116848774
N-[(1S)-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 28702275

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine?
The IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine (CID 112512177) is 2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine is CCOc1ccc(C(CNC)OC)cc1F.
What is the InChIKey of 2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine?
The InChIKey is SIDQOBINMDJFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-4-16-11-6-5-9(7-10(11)13)12(15-3)8-14-2/h5-7,12,14H,4,8H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine?
2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine has a molecular weight of 227.28 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 112512177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).