N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine

C17H26FNO2 — CID 103183708

IUPACN-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
SMILESCOCCCOCCC(CNC1CC1)c1ccccc1F
InChIInChI=1S/C17H26FNO2/c1-20-10-4-11-21-12-9-14(13-19-15-7-8-15)16-5-2-3-6-17(16)18/h2-3,5-6,14-15,19H,4,7-13H2,1H3
InChIKeyQZLIIFCTFRLNOH-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.10
Rot. Bonds11

About N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine

N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine (PubChem CID 103183708) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
PubChem CID103183708
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
SMILESCOCCCOCCC(CNC1CC1)c1ccccc1F
InChIInChI=1S/C17H26FNO2/c1-20-10-4-11-21-12-9-14(13-19-15-7-8-15)16-5-2-3-6-17(16)18/h2-3,5-6,14-15,19H,4,7-13H2,1H3
InChIKeyQZLIIFCTFRLNOH-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine
CID 115943473
N-[2-(2-fluorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169179
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793
N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183703
N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
CID 79424178
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
CID 106457197
N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412646
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 55083352
2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 79448650
1-[1-chloro-4-[2-(2-methoxyethoxy)ethoxy]butan-2-yl]-2-fluorobenzene
CID 104568771

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine (CID 103183708) is N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine is COCCCOCCC(CNC1CC1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine?
The InChIKey is QZLIIFCTFRLNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-20-10-4-11-21-12-9-14(13-19-15-7-8-15)16-5-2-3-6-17(16)18/h2-3,5-6,14-15,19H,4,7-13H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine?
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine has a molecular weight of 295.40 g/mol, XLogP of 3.10, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine is sourced from PubChem (CID 103183708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).