N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine

C15H20FN — CID 112749809

IUPACN-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C2=CCCC2)c(F)c1
InChIInChI=1S/C15H20FN/c1-2-9-17-11-12-7-8-14(15(16)10-12)13-5-3-4-6-13/h5,7-8,10,17H,2-4,6,9,11H2,1H3
InChIKeyXRZVLVAMVARAMO-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.89
Rot. Bonds5

About N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine

N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine (PubChem CID 112749809) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine
PubChem CID112749809
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C2=CCCC2)c(F)c1
InChIInChI=1S/C15H20FN/c1-2-9-17-11-12-7-8-14(15(16)10-12)13-5-3-4-6-13/h5,7-8,10,17H,2-4,6,9,11H2,1H3
InChIKeyXRZVLVAMVARAMO-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]propan-1-amine
CID 81446655
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447432
N-[[3-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447730
N-[(3-fluoro-4-thiophen-3-ylphenyl)methyl]propan-1-amine
CID 81447253
CID 171637673
CID 171637673
N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine
CID 112749810
N-[[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
CID 114689873
N-[[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine
CID 81447351
N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine
CID 81432612
N-[[3-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 81431993
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 81448151

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine (CID 112749809) is N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine is CCCNCc1ccc(C2=CCCC2)c(F)c1.
What is the InChIKey of N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine?
The InChIKey is XRZVLVAMVARAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-2-9-17-11-12-7-8-14(15(16)10-12)13-5-3-4-6-13/h5,7-8,10,17H,2-4,6,9,11H2,1H3.
What are the key properties of N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine?
N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine has a molecular weight of 233.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 112749809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).