N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine

C16H24FNO — CID 79438193

IUPACN-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
SMILESCCOCCCC(CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO/c1-2-19-11-3-4-14(12-18-16-9-10-16)13-5-7-15(17)8-6-13/h5-8,14,16,18H,2-4,9-12H2,1H3
InChIKeyMPIPFUUVCQCXPR-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.48
Rot. Bonds9

About N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine

N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine (PubChem CID 79438193) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
PubChem CID79438193
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
SMILESCCOCCCC(CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO/c1-2-19-11-3-4-14(12-18-16-9-10-16)13-5-7-15(17)8-6-13/h5-8,14,16,18H,2-4,9-12H2,1H3
InChIKeyMPIPFUUVCQCXPR-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
CID 62516255
3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol
CID 117244719
N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 62106947
N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine
CID 103984754
N-[2-(4-chlorophenyl)hexyl]cyclopropanamine
CID 79437438
N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412592
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62107517
N-(2-phenylnonyl)cyclopropanamine
CID 65431169
N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 66227133
N-[2-(4-fluorophenyl)-3-(2-methylphenyl)propyl]cyclopropanamine
CID 79431035
N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine
CID 81015192
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903

Frequently Asked Questions

What is the IUPAC name of N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine (CID 79438193) is N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine is CCOCCCC(CNC1CC1)c1ccc(F)cc1.
What is the InChIKey of N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine?
The InChIKey is MPIPFUUVCQCXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-19-11-3-4-14(12-18-16-9-10-16)13-5-7-15(17)8-6-13/h5-8,14,16,18H,2-4,9-12H2,1H3.
What are the key properties of N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine?
N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine has a molecular weight of 265.37 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine is sourced from PubChem (CID 79438193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).