(2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine

C15H20FN — CID 114227803

IUPAC(2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine
SMILESCc1c(F)cccc1NC1/C=C\CCCCC1
InChIInChI=1S/C15H20FN/c1-12-14(16)10-7-11-15(12)17-13-8-5-3-2-4-6-9-13/h5,7-8,10-11,13,17H,2-4,6,9H2,1H3/b8-5-
InChIKeyFLTXSZVOIOVDIG-YVMONPNESA-N
MW233.33 g/mol
LogP4.43
Rot. Bonds2

About (2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine

(2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine (PubChem CID 114227803) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is (2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine.

Molecular Properties

Compound Name(2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine
PubChem CID114227803
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name(2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine
SMILESCc1c(F)cccc1NC1/C=C\CCCCC1
InChIInChI=1S/C15H20FN/c1-12-14(16)10-7-11-15(12)17-13-8-5-3-2-4-6-9-13/h5,7-8,10-11,13,17H,2-4,6,9H2,1H3/b8-5-
InChIKeyFLTXSZVOIOVDIG-YVMONPNESA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine 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

(2E)-N-(2-methylsulfanylphenyl)cyclooct-2-en-1-amine
CID 114227908
(2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine
CID 114227819
2-bromo-N-cyclohex-2-en-1-yl-3-methylaniline
CID 107907589
(2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine
CID 101429390
N-cyclohex-2-en-1-yl-2-methylsulfonylaniline
CID 71920706
N-(2-tert-butylcyclohexyl)-3-fluoro-2-methylaniline
CID 55191425
1-N-(3-fluoro-2-methylphenyl)cyclohexane-1,3-diamine
CID 79458310
4-tert-butyl-N-(3-fluoro-2-methylphenyl)cycloheptan-1-amine
CID 65089978
N-(3-fluoro-2-methylphenyl)thian-3-amine
CID 62871831
(2E)-N-(5-bromo-2-chlorophenyl)cyclooct-2-en-1-amine
CID 114227821
N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091174
N-[(1S)-cyclohex-2-en-1-yl]-4-methylaniline
CID 101110107

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine?
The IUPAC name of (2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine (CID 114227803) is (2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine.
What is the SMILES notation for (2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine?
The canonical SMILES for (2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine is Cc1c(F)cccc1NC1/C=C\CCCCC1.
What is the InChIKey of (2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine?
The InChIKey is FLTXSZVOIOVDIG-YVMONPNESA-N. The full InChI is InChI=1S/C15H20FN/c1-12-14(16)10-7-11-15(12)17-13-8-5-3-2-4-6-9-13/h5,7-8,10-11,13,17H,2-4,6,9H2,1H3/b8-5-.
What are the key properties of (2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine?
(2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine has a molecular weight of 233.33 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine is sourced from PubChem (CID 114227803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).