N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine

C16H24FNO — CID 65306006

IUPACN-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
SMILESCOc1ccc(CCCCCCNC2CC2)cc1F
InChIInChI=1S/C16H24FNO/c1-19-16-10-7-13(12-15(16)17)6-4-2-3-5-11-18-14-8-9-14/h7,10,12,14,18H,2-6,8-9,11H2,1H3
InChIKeyZYAJPADWHVPHMN-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.69
Rot. Bonds9

About N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine

N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine (PubChem CID 65306006) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
PubChem CID65306006
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
SMILESCOc1ccc(CCCCCCNC2CC2)cc1F
InChIInChI=1S/C16H24FNO/c1-19-16-10-7-13(12-15(16)17)6-4-2-3-5-11-18-14-8-9-14/h7,10,12,14,18H,2-6,8-9,11H2,1H3
InChIKeyZYAJPADWHVPHMN-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
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-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65308462
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81020121
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492
N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine
CID 98016483
N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
CID 115118227
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714
N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015306
3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64506176
N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 62723615

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine (CID 65306006) is N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine is COc1ccc(CCCCCCNC2CC2)cc1F.
What is the InChIKey of N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine?
The InChIKey is ZYAJPADWHVPHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-19-16-10-7-13(12-15(16)17)6-4-2-3-5-11-18-14-8-9-14/h7,10,12,14,18H,2-6,8-9,11H2,1H3.
What are the key properties of N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine?
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine has a molecular weight of 265.37 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine is sourced from PubChem (CID 65306006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).