N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine

C18H24FN — CID 43634059

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCCC3=CCCCC3)C2)cc1
InChIInChI=1S/C18H24FN/c19-17-8-6-15(7-9-17)16-12-18(13-16)20-11-10-14-4-2-1-3-5-14/h4,6-9,16,18,20H,1-3,5,10-13H2
InChIKeyKEHZNFQJLZZDCQ-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.55
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine (PubChem CID 43634059) has the molecular formula C18H24FN and a molecular weight of 273.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine
PubChem CID43634059
Molecular FormulaC18H24FN
Molecular Weight273.39 g/mol
Exact Mass273.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCCC3=CCCCC3)C2)cc1
InChIInChI=1S/C18H24FN/c19-17-8-6-15(7-9-17)16-12-18(13-16)20-11-10-14-4-2-1-3-5-14/h4,6-9,16,18,20H,1-3,5,10-13H2
InChIKeyKEHZNFQJLZZDCQ-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634072
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106169746
N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131687
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
CID 63331729
3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63242564
3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116642832
(3R)-N-[2-(cyclohexen-1-yl)ethyl]thiolan-3-amine
CID 28620749
(3S)-N-[2-(cyclohexen-1-yl)ethyl]thian-3-amine
CID 94885734
3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 54917361
N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844817
N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097606

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine (CID 43634059) is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine is Fc1ccc(C2CC(NCCC3=CCCCC3)C2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The InChIKey is KEHZNFQJLZZDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN/c19-17-8-6-15(7-9-17)16-12-18(13-16)20-11-10-14-4-2-1-3-5-14/h4,6-9,16,18,20H,1-3,5,10-13H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine has a molecular weight of 273.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 43634059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).