N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine

C17H26FNO — CID 104649264

IUPACN-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine
SMILESCOCCCCC(CNC1CC1)Cc1ccccc1F
InChIInChI=1S/C17H26FNO/c1-20-11-5-4-6-14(13-19-16-9-10-16)12-15-7-2-3-8-17(15)18/h2-3,7-8,14,16,19H,4-6,9-13H2,1H3
InChIKeyIRCDLSKIAZCJEF-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.55
Rot. Bonds10

About N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine

N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine (PubChem CID 104649264) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine
PubChem CID104649264
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine
SMILESCOCCCCC(CNC1CC1)Cc1ccccc1F
InChIInChI=1S/C17H26FNO/c1-20-11-5-4-6-14(13-19-16-9-10-16)12-15-7-2-3-8-17(15)18/h2-3,7-8,14,16,19H,4-6,9-13H2,1H3
InChIKeyIRCDLSKIAZCJEF-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.55
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]-5-methoxypentyl]cyclopropanamine
CID 55083352
N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 62515917
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
N-(2-ethyl-6-methoxyhexyl)cyclopropanamine
CID 104649189
N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412311
N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine
CID 55220297
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 112654147
N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844
N-[2-[(2-bromophenyl)methyl]-4-butoxybutyl]cyclopropanamine
CID 62514411
1-(2-fluorophenyl)-5-methoxypentan-2-ol
CID 62606164
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]-6-methoxyhexyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine (CID 104649264) is N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine is COCCCCC(CNC1CC1)Cc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine?
The InChIKey is IRCDLSKIAZCJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-20-11-5-4-6-14(13-19-16-9-10-16)12-15-7-2-3-8-17(15)18/h2-3,7-8,14,16,19H,4-6,9-13H2,1H3.
What are the key properties of N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine?
N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine has a molecular weight of 279.40 g/mol, XLogP of 3.55, 10 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]-6-methoxyhexyl]cyclopropanamine is sourced from PubChem (CID 104649264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).