2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine

C17H26FN — CID 81417321

IUPAC2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H26FN/c1-6-17(4)14(11-15(17)19-5)16(2,3)12-7-9-13(18)10-8-12/h7-10,14-15,19H,6,11H2,1-5H3
InChIKeyGKUHHYIEFWHMHB-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.13
Rot. Bonds4

About 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine

2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine (PubChem CID 81417321) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine
PubChem CID81417321
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H26FN/c1-6-17(4)14(11-15(17)19-5)16(2,3)12-7-9-13(18)10-8-12/h7-10,14-15,19H,6,11H2,1-5H3
InChIKeyGKUHHYIEFWHMHB-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol
CID 81415006
2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine
CID 83128332
2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357504
2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357331
(2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane
CID 83128345
3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 81416793
3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66358502
3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine
CID 65167987
3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66350520
3-(4-fluorophenyl)-3-(methylamino)butan-1-ol
CID 65234691
3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66357069
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 22572271

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine (CID 81417321) is 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine?
The InChIKey is GKUHHYIEFWHMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-6-17(4)14(11-15(17)19-5)16(2,3)12-7-9-13(18)10-8-12/h7-10,14-15,19H,6,11H2,1-5H3.
What are the key properties of 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine?
2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81417321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).