2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine

C15H24FN — CID 166983561

IUPAC2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
SMILESCC1CCCC1CNCCC1=CC(F)=CCC1
InChIInChI=1S/C15H24FN/c1-12-4-2-6-14(12)11-17-9-8-13-5-3-7-15(16)10-13/h7,10,12,14,17H,2-6,8-9,11H2,1H3
InChIKeyDARTVCBTPLPORT-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.98
Rot. Bonds5

About 2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine

2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 166983561) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
PubChem CID166983561
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
SMILESCC1CCCC1CNCCC1=CC(F)=CCC1
InChIInChI=1S/C15H24FN/c1-12-4-2-6-14(12)11-17-9-8-13-5-3-7-15(16)10-13/h7,10,12,14,17H,2-6,8-9,11H2,1H3
InChIKeyDARTVCBTPLPORT-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
{Bicyclo[2.2.1]hept-5-en-2-ylmethyl}(butyl)amine
CID 19753053
cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine
CID 89089180
4-(4-Fluorocyclohexa-1,3-dien-1-yl)piperidine
CID 89358844
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
N-[(E)-3-(5-fluoro-6-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)prop-2-enyl]pentan-1-amine
CID 126583499
7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine
CID 130243324
(3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine
CID 134292370
(4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine
CID 134365657
(3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 134466153
3-Ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine
CID 138507730
4-(3-Fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine
CID 139409634

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of 2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine (CID 166983561) is 2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine is CC1CCCC1CNCCC1=CC(F)=CCC1.
What is the InChIKey of 2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is DARTVCBTPLPORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-12-4-2-6-14(12)11-17-9-8-13-5-3-7-15(16)10-13/h7,10,12,14,17H,2-6,8-9,11H2,1H3.
What are the key properties of 2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 237.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclohexa-1,3-dien-1-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 166983561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).