[1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine

C12H14FN — CID 65353293

IUPAC[1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine
SMILESNCC1(c2cccc(F)c2)CC=CC1
InChIInChI=1S/C12H14FN/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h1-5,8H,6-7,9,14H2
InChIKeyCXKCYZIDIWKWJN-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.37
Rot. Bonds2

About [1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine

[1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine (PubChem CID 65353293) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is [1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine.

Molecular Properties

Compound Name[1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine
PubChem CID65353293
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name[1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine
SMILESNCC1(c2cccc(F)c2)CC=CC1
InChIInChI=1S/C12H14FN/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h1-5,8H,6-7,9,14H2
InChIKeyCXKCYZIDIWKWJN-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.37
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

[1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine
CID 64905235
[1-(3-fluorophenyl)-3-propylcyclobutyl]methanamine
CID 65013573
[1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine
CID 65353601
2-[1-(3-fluorophenyl)cyclobutyl]acetamide
CID 121344932
[1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine
CID 65353191
[1-(3,5-dimethylphenyl)cyclopent-3-en-1-yl]methanamine
CID 65353499
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
(1R)-2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 105432735
2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 62387493
1-fluoro-3-[1-(isocyanomethyl)cyclobutyl]benzene
CID 105443630
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine?
The IUPAC name of [1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine (CID 65353293) is [1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine.
What is the SMILES notation for [1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine?
The canonical SMILES for [1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine is NCC1(c2cccc(F)c2)CC=CC1.
What is the InChIKey of [1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine?
The InChIKey is CXKCYZIDIWKWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h1-5,8H,6-7,9,14H2.
What are the key properties of [1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine?
[1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine has a molecular weight of 191.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine is sourced from PubChem (CID 65353293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).