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

C17H24FN — CID 43635354

IUPACN-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
SMILESFc1ccccc1C1CC(NCC2CCCCC2)C1
InChIInChI=1S/C17H24FN/c18-17-9-5-4-8-16(17)14-10-15(11-14)19-12-13-6-2-1-3-7-13/h4-5,8-9,13-15,19H,1-3,6-7,10-12H2
InChIKeyGJKJBXQFGPZSQW-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.24
Rot. Bonds4

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

N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine (PubChem CID 43635354) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
PubChem CID43635354
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
SMILESFc1ccccc1C1CC(NCC2CCCCC2)C1
InChIInChI=1S/C17H24FN/c18-17-9-5-4-8-16(17)14-10-15(11-14)19-12-13-6-2-1-3-7-13/h4-5,8-9,13-15,19H,1-3,6-7,10-12H2
InChIKeyGJKJBXQFGPZSQW-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine
CID 43632316
N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine
CID 43633190
3-(2-fluorophenyl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine
CID 124698420
3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine
CID 64742391
N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43633919
N-(2-cyclopropylpropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 113384039
1-cyclopentyl-2-fluorobenzene
CID 53415938
N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635351
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]acetate
CID 54921064
1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol
CID 65107731
3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 63726468
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine (CID 43635354) is N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine is Fc1ccccc1C1CC(NCC2CCCCC2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine?
The InChIKey is GJKJBXQFGPZSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c18-17-9-5-4-8-16(17)14-10-15(11-14)19-12-13-6-2-1-3-7-13/h4-5,8-9,13-15,19H,1-3,6-7,10-12H2.
What are the key properties of N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine?
N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine has a molecular weight of 261.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 43635354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).