N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine

C13H16FN — CID 115696342

IUPACN-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine
SMILESCc1ccc(F)c(CNC2CC=CC2)c1
InChIInChI=1S/C13H16FN/c1-10-6-7-13(14)11(8-10)9-15-12-4-2-3-5-12/h2-3,6-8,12,15H,4-5,9H2,1H3
InChIKeyYHOFUCSWPCXHED-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.94
Rot. Bonds3

About N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine

N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine (PubChem CID 115696342) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine
PubChem CID115696342
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine
SMILESCc1ccc(F)c(CNC2CC=CC2)c1
InChIInChI=1S/C13H16FN/c1-10-6-7-13(14)11(8-10)9-15-12-4-2-3-5-12/h2-3,6-8,12,15H,4-5,9H2,1H3
InChIKeyYHOFUCSWPCXHED-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.94
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-fluoro-5-methylphenyl)methyl]oxan-4-amine
CID 115632214
N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664737
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 70653063
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
N-[(2-fluoro-5-methylphenyl)methyl]but-2-yn-1-amine
CID 115866443
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844
(3R,7S,8aS)-7-[(2-fluoro-5-methylphenyl)methylamino]-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 56860604
3-chloro-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutan-1-amine
CID 103050005
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115777600

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine (CID 115696342) is N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine is Cc1ccc(F)c(CNC2CC=CC2)c1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine?
The InChIKey is YHOFUCSWPCXHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-10-6-7-13(14)11(8-10)9-15-12-4-2-3-5-12/h2-3,6-8,12,15H,4-5,9H2,1H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine?
N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine has a molecular weight of 205.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115696342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).