N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine

C15H21FN2 — CID 57004417

IUPACN-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine
SMILESCC(C)(C)NC1CC/C1=N\Cc1ccc(F)cc1
InChIInChI=1S/C15H21FN2/c1-15(2,3)18-14-9-8-13(14)17-10-11-4-6-12(16)7-5-11/h4-7,14,18H,8-10H2,1-3H3/b17-13+
InChIKeyPOEKJMAXJPSKNC-GHRIWEEISA-N
MW248.34 g/mol
LogP3.32
Rot. Bonds3

About N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine

N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine (PubChem CID 57004417) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine
PubChem CID57004417
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC NameN-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine
SMILESCC(C)(C)NC1CC/C1=N\Cc1ccc(F)cc1
InChIInChI=1S/C15H21FN2/c1-15(2,3)18-14-9-8-13(14)17-10-11-4-6-12(16)7-5-11/h4-7,14,18H,8-10H2,1-3H3/b17-13+
InChIKeyPOEKJMAXJPSKNC-GHRIWEEISA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Benzenemethanamine, 3-fluoro-N-(1-methylethyl)-
CID 457579
N-(2-fluorobenzyl)butan-1-amine
CID 487835
N-[(3-fluorophenyl)methyl]-1-[2-(methylamino)ethyl]azetidin-3-amine
CID 137638371
Benzenemethanamine, N-butyl-3-fluoro-
CID 457581
Benzenemethanamine, 3-fluoro-N-pentyl-
CID 457582
((4-Fluorophenyl)methyl)(propan-2-yl)amine
CID 3746538
N-Butyl-4-fluorobenzenemethanamine
CID 4417376
2-Fluoro-N-(1-methylethyl)benzenemethanamine
CID 17156261
N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 4637442
N-[(4-fluorophenyl)methyl]cyclobutanamine
CID 18507922
((2,4-Difluorophenyl)methyl)(propan-2-yl)amine
CID 23548231
[(3-Fluorophenyl)methyl](propan-2-yl)amine hydrochloride
CID 49795992

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine?
The IUPAC name of N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine (CID 57004417) is N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine is CC(C)(C)NC1CC/C1=N\Cc1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine?
The InChIKey is POEKJMAXJPSKNC-GHRIWEEISA-N. The full InChI is InChI=1S/C15H21FN2/c1-15(2,3)18-14-9-8-13(14)17-10-11-4-6-12(16)7-5-11/h4-7,14,18H,8-10H2,1-3H3/b17-13+.
What are the key properties of N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine?
N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine has a molecular weight of 248.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine is sourced from PubChem (CID 57004417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).