N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine

C15H22FNO3 — CID 107688280

IUPACN-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCOCCOCCOc1ccc(CNC2CC2)cc1F
InChIInChI=1S/C15H22FNO3/c1-18-6-7-19-8-9-20-15-5-2-12(10-14(15)16)11-17-13-3-4-13/h2,5,10,13,17H,3-4,6-9,11H2,1H3
InChIKeyKZVVVEDIZZOWSA-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.12
Rot. Bonds10

About N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine

N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 107688280) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID107688280
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC NameN-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCOCCOCCOc1ccc(CNC2CC2)cc1F
InChIInChI=1S/C15H22FNO3/c1-18-6-7-19-8-9-20-15-5-2-12(10-14(15)16)11-17-13-3-4-13/h2,5,10,13,17H,3-4,6-9,11H2,1H3
InChIKeyKZVVVEDIZZOWSA-UHFFFAOYSA-N
XLogP2.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315
2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 107692822
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide
CID 107687996
4-(bromomethyl)-2-fluoro-1-[2-(3-methoxypropoxy)ethoxy]benzene
CID 107691568
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857
N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688184
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]cyclopropanamine
CID 103408983
N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine (CID 107688280) is N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine is COCCOCCOc1ccc(CNC2CC2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is KZVVVEDIZZOWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-18-6-7-19-8-9-20-15-5-2-12(10-14(15)16)11-17-13-3-4-13/h2,5,10,13,17H,3-4,6-9,11H2,1H3.
What are the key properties of N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 283.34 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107688280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).