4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine

C13H16FN — CID 83261880

IUPAC4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine
SMILESNC1CC=C(Cc2ccccc2F)CC1
InChIInChI=1S/C13H16FN/c14-13-4-2-1-3-11(13)9-10-5-7-12(15)8-6-10/h1-5,12H,6-9,15H2
InChIKeySWOFKEYZGAENDU-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.81
Rot. Bonds2

About 4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine

4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine (PubChem CID 83261880) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine
PubChem CID83261880
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine
SMILESNC1CC=C(Cc2ccccc2F)CC1
InChIInChI=1S/C13H16FN/c14-13-4-2-1-3-11(13)9-10-5-7-12(15)8-6-10/h1-5,12H,6-9,15H2
InChIKeySWOFKEYZGAENDU-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.81
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

Phenethylamine
CID 1001
Amphetamine
CID 3007
Dextroamphetamine
CID 5826
Tranylcypromine
CID 5530
(-)-Amphetamine
CID 32893
(+-)-Norfenfluramine
CID 15897
1-Phenethylamine
CID 7408
3-Phenylpropylamine
CID 16259
(1R,2S)-Tranylcypromine
CID 19493
1-Methyl-3-phenylpropylamine
CID 31160
1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine?
The IUPAC name of 4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine (CID 83261880) is 4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine is NC1CC=C(Cc2ccccc2F)CC1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine?
The InChIKey is SWOFKEYZGAENDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-13-4-2-1-3-11(13)9-10-5-7-12(15)8-6-10/h1-5,12H,6-9,15H2.
What are the key properties of 4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine?
4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine has a molecular weight of 205.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 83261880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).