3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine

C16H24FN — CID 105377444

IUPAC3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
SMILESCCNC(Cc1cc(F)ccc1C)C(C)C1CC1
InChIInChI=1S/C16H24FN/c1-4-18-16(12(3)13-6-7-13)10-14-9-15(17)8-5-11(14)2/h5,8-9,12-13,16,18H,4,6-7,10H2,1-3H3
InChIKeyBQWRXRGXJCMIOU-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.70
Rot. Bonds6

About 3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine

3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine (PubChem CID 105377444) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
PubChem CID105377444
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
SMILESCCNC(Cc1cc(F)ccc1C)C(C)C1CC1
InChIInChI=1S/C16H24FN/c1-4-18-16(12(3)13-6-7-13)10-14-9-15(17)8-5-11(14)2/h5,8-9,12-13,16,18H,4,6-7,10H2,1-3H3
InChIKeyBQWRXRGXJCMIOU-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 102623040
3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377154
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105377161
N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374013
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115967889
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374247
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377331

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine?
The IUPAC name of 3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine (CID 105377444) is 3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine.
What is the SMILES notation for 3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine?
The canonical SMILES for 3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine is CCNC(Cc1cc(F)ccc1C)C(C)C1CC1.
What is the InChIKey of 3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine?
The InChIKey is BQWRXRGXJCMIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-18-16(12(3)13-6-7-13)10-14-9-15(17)8-5-11(14)2/h5,8-9,12-13,16,18H,4,6-7,10H2,1-3H3.
What are the key properties of 3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine?
3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine has a molecular weight of 249.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine is sourced from PubChem (CID 105377444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).