2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

C15H22FNO2 — CID 116723346

IUPAC2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCCOC(C1CC1)C(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-4-19-15(10-5-6-10)14(17-2)11-7-8-13(18-3)12(16)9-11/h7-10,14-15,17H,4-6H2,1-3H3
InChIKeyVEKATOUKSQMGIM-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.91
Rot. Bonds7

About 2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 116723346) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID116723346
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCCOC(C1CC1)C(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-4-19-15(10-5-6-10)14(17-2)11-7-8-13(18-3)12(16)9-11/h7-10,14-15,17H,4-6H2,1-3H3
InChIKeyVEKATOUKSQMGIM-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine
CID 116723314
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 116723290
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 116723469
2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 79495027
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948678
2-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]butanenitrile
CID 116960518
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949556
1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62587575
2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
CID 116723089
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
CID 116722171

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 116723346) is 2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is CCOC(C1CC1)C(NC)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is VEKATOUKSQMGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-19-15(10-5-6-10)14(17-2)11-7-8-13(18-3)12(16)9-11/h7-10,14-15,17H,4-6H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 267.34 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 116723346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).