N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine

C16H24FNO — CID 55083352

IUPACN-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
SMILESCOCCCC(CNC1CC1)Cc1ccccc1F
InChIInChI=1S/C16H24FNO/c1-19-10-4-5-13(12-18-15-8-9-15)11-14-6-2-3-7-16(14)17/h2-3,6-7,13,15,18H,4-5,8-12H2,1H3
InChIKeyJHNNMTBGDUKGDI-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.16
Rot. Bonds9

About N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine

N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine (PubChem CID 55083352) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
PubChem CID55083352
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
SMILESCOCCCC(CNC1CC1)Cc1ccccc1F
InChIInChI=1S/C16H24FNO/c1-19-10-4-5-13(12-18-15-8-9-15)11-14-6-2-3-7-16(14)17/h2-3,6-7,13,15,18H,4-5,8-12H2,1H3
InChIKeyJHNNMTBGDUKGDI-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine
CID 104649264
N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 62515917
N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412311
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
1-(2-fluorophenyl)-5-methoxypentan-2-ol
CID 62606164
N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 112654147
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine
CID 55220297
N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844
N-[2-[(2-bromophenyl)methyl]-4-butoxybutyl]cyclopropanamine
CID 62514411
2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984662

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine (CID 55083352) is N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine is COCCCC(CNC1CC1)Cc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine?
The InChIKey is JHNNMTBGDUKGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-19-10-4-5-13(12-18-15-8-9-15)11-14-6-2-3-7-16(14)17/h2-3,6-7,13,15,18H,4-5,8-12H2,1H3.
What are the key properties of N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine?
N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine has a molecular weight of 265.37 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine is sourced from PubChem (CID 55083352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).