N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine

C16H24FN — CID 79679545

IUPACN-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccccc2F)CCCC1C
InChIInChI=1S/C16H24FN/c1-3-11-18-12-16(10-6-7-13(16)2)14-8-4-5-9-15(14)17/h4-5,8-9,13,18H,3,6-7,10-12H2,1-2H3
InChIKeyBXMBLVTWJYIKNX-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.88
Rot. Bonds5

About N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine

N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine (PubChem CID 79679545) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
PubChem CID79679545
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccccc2F)CCCC1C
InChIInChI=1S/C16H24FN/c1-3-11-18-12-16(10-6-7-13(16)2)14-8-4-5-9-15(14)17/h4-5,8-9,13,18H,3,6-7,10-12H2,1-2H3
InChIKeyBXMBLVTWJYIKNX-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.88
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine (CID 79679545) is N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine is CCCNCC1(c2ccccc2F)CCCC1C.
What is the InChIKey of N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine?
The InChIKey is BXMBLVTWJYIKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-11-18-12-16(10-6-7-13(16)2)14-8-4-5-9-15(14)17/h4-5,8-9,13,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine?
N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 79679545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).