N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine

C15H21F2N — CID 64999135

IUPACN-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine
SMILESCCNCC1(c2cc(F)cc(F)c2)CC(CC)C1
InChIInChI=1S/C15H21F2N/c1-3-11-8-15(9-11,10-18-4-2)12-5-13(16)7-14(17)6-12/h5-7,11,18H,3-4,8-10H2,1-2H3
InChIKeyQAAILYLTTNQYDA-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.63
Rot. Bonds5

About N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine

N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine (PubChem CID 64999135) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine
PubChem CID64999135
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine
SMILESCCNCC1(c2cc(F)cc(F)c2)CC(CC)C1
InChIInChI=1S/C15H21F2N/c1-3-11-8-15(9-11,10-18-4-2)12-5-13(16)7-14(17)6-12/h5-7,11,18H,3-4,8-10H2,1-2H3
InChIKeyQAAILYLTTNQYDA-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine (CID 64999135) is N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine is CCNCC1(c2cc(F)cc(F)c2)CC(CC)C1.
What is the InChIKey of N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine?
The InChIKey is QAAILYLTTNQYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-3-11-8-15(9-11,10-18-4-2)12-5-13(16)7-14(17)6-12/h5-7,11,18H,3-4,8-10H2,1-2H3.
What are the key properties of N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine?
N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine is sourced from PubChem (CID 64999135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).