N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine

C18H28FN — CID 43634228

IUPACN-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine
SMILESCCCCC(CC)CNC1CC(c2ccccc2F)C1
InChIInChI=1S/C18H28FN/c1-3-5-8-14(4-2)13-20-16-11-15(12-16)17-9-6-7-10-18(17)19/h6-7,9-10,14-16,20H,3-5,8,11-13H2,1-2H3
InChIKeyKSQNBLOWLFVBJY-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.88
Rot. Bonds8

About N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine

N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine (PubChem CID 43634228) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine
PubChem CID43634228
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine
SMILESCCCCC(CC)CNC1CC(c2ccccc2F)C1
InChIInChI=1S/C18H28FN/c1-3-5-8-14(4-2)13-20-16-11-15(12-16)17-9-6-7-10-18(17)19/h6-7,9-10,14-16,20H,3-5,8,11-13H2,1-2H3
InChIKeyKSQNBLOWLFVBJY-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine
CID 43632210
N-(2-cyclopropylpropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 113384039
3-(2-fluorophenyl)-N-(2-phenylpropyl)cyclobutan-1-amine
CID 43634457
3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634781
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43222596
N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43633919
N-(2-ethylhexyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148861
1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol
CID 65107731
N-(2-ethylhexyl)-2,3-difluoroaniline
CID 63490651
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine (CID 43634228) is N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine is CCCCC(CC)CNC1CC(c2ccccc2F)C1.
What is the InChIKey of N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine?
The InChIKey is KSQNBLOWLFVBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-3-5-8-14(4-2)13-20-16-11-15(12-16)17-9-6-7-10-18(17)19/h6-7,9-10,14-16,20H,3-5,8,11-13H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine?
N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 43634228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).