1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C16H25FN2 — CID 43634263

IUPAC1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-16(2,19(3)4)11-18-15-9-13(10-15)12-5-7-14(17)8-6-12/h5-8,13,15,18H,9-11H2,1-4H3
InChIKeyGVQQXFWKCFHVBE-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.00
Rot. Bonds5

About 1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 43634263) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID43634263
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-16(2,19(3)4)11-18-15-9-13(10-15)12-5-7-14(17)8-6-12/h5-8,13,15,18H,9-11H2,1-4H3
InChIKeyGVQQXFWKCFHVBE-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine
CID 104651089
1-N-[3-(3-chlorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43634275
3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 103529409
3-(4-fluorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83143109
N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097606
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
3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 82720724
3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 78952785
2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
CID 43635152
N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 115920232
ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate
CID 60811082

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 43634263) is 1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is GVQQXFWKCFHVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-16(2,19(3)4)11-18-15-9-13(10-15)12-5-7-14(17)8-6-12/h5-8,13,15,18H,9-11H2,1-4H3.
What are the key properties of 1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 43634263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).