3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine

C17H26FNO — CID 104651089

IUPAC3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine
SMILESCOCCC(C)(C)CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNO/c1-17(2,8-9-20-3)12-19-16-10-14(11-16)13-4-6-15(18)7-5-13/h4-7,14,16,19H,8-12H2,1-3H3
InChIKeyAIOXYWHERWVQRF-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.72
Rot. Bonds7

About 3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine

3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine (PubChem CID 104651089) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine
PubChem CID104651089
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine
SMILESCOCCC(C)(C)CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNO/c1-17(2,8-9-20-3)12-19-16-10-14(11-16)13-4-6-15(18)7-5-13/h4-7,14,16,19H,8-12H2,1-3H3
InChIKeyAIOXYWHERWVQRF-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43634263
3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 103529409
3-(4-fluorophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 64604417
4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol
CID 104530299
3-(4-fluorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83143109
5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 104628801
N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43633039
3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 82720724
3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine
CID 103460849
ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate
CID 60811082
3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine
CID 43731257
N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 64568470

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine (CID 104651089) is 3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine is COCCC(C)(C)CNC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine?
The InChIKey is AIOXYWHERWVQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-17(2,8-9-20-3)12-19-16-10-14(11-16)13-4-6-15(18)7-5-13/h4-7,14,16,19H,8-12H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine?
3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine is sourced from PubChem (CID 104651089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).