2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine

C15H22FNO — CID 116723511

IUPAC2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCCOC(C1CC1)C(NC)c1cc(C)cc(F)c1
InChIInChI=1S/C15H22FNO/c1-4-18-15(11-5-6-11)14(17-3)12-7-10(2)8-13(16)9-12/h7-9,11,14-15,17H,4-6H2,1-3H3
InChIKeyWCEVEMBOMQHVEZ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.21
Rot. Bonds6

About 2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine

2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine (PubChem CID 116723511) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
PubChem CID116723511
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCCOC(C1CC1)C(NC)c1cc(C)cc(F)c1
InChIInChI=1S/C15H22FNO/c1-4-18-15(11-5-6-11)14(17-3)12-7-10(2)8-13(16)9-12/h7-9,11,14-15,17H,4-6H2,1-3H3
InChIKeyWCEVEMBOMQHVEZ-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 116723469
2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine
CID 116771626
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 116723346
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 116723290
2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 105016424
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine
CID 116723314
2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116772313
2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol
CID 116756591
1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79705578
[2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)ethyl]hydrazine
CID 105278882
[2-cyclopropyl-1-(2,4-difluorophenyl)-2-ethoxyethyl]hydrazine
CID 105273134

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine (CID 116723511) is 2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine is CCOC(C1CC1)C(NC)c1cc(C)cc(F)c1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine?
The InChIKey is WCEVEMBOMQHVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-4-18-15(11-5-6-11)14(17-3)12-7-10(2)8-13(16)9-12/h7-9,11,14-15,17H,4-6H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine?
2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 116723511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).