N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine

C13H18FNO2 — CID 114199476

IUPACN-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Oc2cccc(F)c2)CC1
InChIInChI=1S/C13H18FNO2/c1-16-8-7-15-10-13(5-6-13)17-12-4-2-3-11(14)9-12/h2-4,9,15H,5-8,10H2,1H3
InChIKeyHHRJROXZGVSFIO-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.97
Rot. Bonds7

About N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine

N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 114199476) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
PubChem CID114199476
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Oc2cccc(F)c2)CC1
InChIInChI=1S/C13H18FNO2/c1-16-8-7-15-10-13(5-6-13)17-12-4-2-3-11(14)9-12/h2-4,9,15H,5-8,10H2,1H3
InChIKeyHHRJROXZGVSFIO-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine
CID 114199465
N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199468
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199475
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008662
N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199443
N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63072700
N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199444
N-[[3-tert-butyl-1-(3-fluorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014382
N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62595001
N-[[1-(3-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014047
N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196722

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine (CID 114199476) is N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine is COCCNCC1(Oc2cccc(F)c2)CC1.
What is the InChIKey of N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is HHRJROXZGVSFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-8-7-15-10-13(5-6-13)17-12-4-2-3-11(14)9-12/h2-4,9,15H,5-8,10H2,1H3.
What are the key properties of N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine?
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 239.29 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114199476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).