1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine

C15H22FNO — CID 106202269

IUPAC1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)c(C)cc1OCCC1CC1
InChIInChI=1S/C15H22FNO/c1-10-8-15(18-7-6-12-4-5-12)13(9-14(10)16)11(2)17-3/h8-9,11-12,17H,4-7H2,1-3H3
InChIKeyBMJYNJNKHBRNLC-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.59
Rot. Bonds6

About 1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine

1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine (PubChem CID 106202269) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine
PubChem CID106202269
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)c(C)cc1OCCC1CC1
InChIInChI=1S/C15H22FNO/c1-10-8-15(18-7-6-12-4-5-12)13(9-14(10)16)11(2)17-3/h8-9,11-12,17H,4-7H2,1-3H3
InChIKeyBMJYNJNKHBRNLC-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine (CID 106202269) is 1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine is CNC(C)c1cc(F)c(C)cc1OCCC1CC1.
What is the InChIKey of 1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine?
The InChIKey is BMJYNJNKHBRNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-8-15(18-7-6-12-4-5-12)13(9-14(10)16)11(2)17-3/h8-9,11-12,17H,4-7H2,1-3H3.
What are the key properties of 1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine?
1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine is sourced from PubChem (CID 106202269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).