N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine

C13H17F2NO — CID 62595001

IUPACN-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H17F2NO/c1-17-5-4-16-9-13(2-3-13)10-6-11(14)8-12(15)7-10/h6-8,16H,2-5,9H2,1H3
InChIKeyCONSJXYQYJULNW-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.23
Rot. Bonds6

About N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine

N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 62595001) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
PubChem CID62595001
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H17F2NO/c1-17-5-4-16-9-13(2-3-13)10-6-11(14)8-12(15)7-10/h6-8,16H,2-5,9H2,1H3
InChIKeyCONSJXYQYJULNW-UHFFFAOYSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.23
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-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62596223
N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008662
N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine
CID 62595738
2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine
CID 80525289
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
N-[[2-(2-chloro-4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methoxyethanamine
CID 65009132
N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 105408569
N-[[3-tert-butyl-1-(3-fluorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014382
N-[[4-(2-chloro-4-fluorophenyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 63036176
N-[[1-(3-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014047
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62594975

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine (CID 62595001) is N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine is COCCNCC1(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is CONSJXYQYJULNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-5-4-16-9-13(2-3-13)10-6-11(14)8-12(15)7-10/h6-8,16H,2-5,9H2,1H3.
What are the key properties of N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine?
N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 241.28 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62595001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).