N-[2-(3-fluorophenyl)nonyl]cyclopropanamine

C18H28FN — CID 79440903

IUPACN-[2-(3-fluorophenyl)nonyl]cyclopropanamine
SMILESCCCCCCCC(CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C18H28FN/c1-2-3-4-5-6-8-16(14-20-18-11-12-18)15-9-7-10-17(19)13-15/h7,9-10,13,16,18,20H,2-6,8,11-12,14H2,1H3
InChIKeyAZNXSPIQVLQBOE-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.02
Rot. Bonds10

About N-[2-(3-fluorophenyl)nonyl]cyclopropanamine

N-[2-(3-fluorophenyl)nonyl]cyclopropanamine (PubChem CID 79440903) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)nonyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)nonyl]cyclopropanamine
PubChem CID79440903
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[2-(3-fluorophenyl)nonyl]cyclopropanamine
SMILESCCCCCCCC(CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C18H28FN/c1-2-3-4-5-6-8-16(14-20-18-11-12-18)15-9-7-10-17(19)13-15/h7,9-10,13,16,18,20H,2-6,8,11-12,14H2,1H3
InChIKeyAZNXSPIQVLQBOE-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.02
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-(2-phenylnonyl)cyclopropanamine
CID 65431169
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904
N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine
CID 79441057
N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine
CID 102984848
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79432897
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 112644215
N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169064
1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115652821
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
N-[2-(4-chlorophenyl)hexyl]cyclopropanamine
CID 79437438

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)nonyl]cyclopropanamine?
The IUPAC name of N-[2-(3-fluorophenyl)nonyl]cyclopropanamine (CID 79440903) is N-[2-(3-fluorophenyl)nonyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-fluorophenyl)nonyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-fluorophenyl)nonyl]cyclopropanamine is CCCCCCCC(CNC1CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)nonyl]cyclopropanamine?
The InChIKey is AZNXSPIQVLQBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-2-3-4-5-6-8-16(14-20-18-11-12-18)15-9-7-10-17(19)13-15/h7,9-10,13,16,18,20H,2-6,8,11-12,14H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)nonyl]cyclopropanamine?
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine has a molecular weight of 277.43 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)nonyl]cyclopropanamine is sourced from PubChem (CID 79440903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).