N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine

C14H20FNO2 — CID 65101607

IUPACN-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC1c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-17-6-5-16-9-11-7-12(11)10-3-4-14(18-2)13(15)8-10/h3-4,8,11-12,16H,5-7,9H2,1-2H3
InChIKeyNDRWXOVYKZUAMG-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.17
Rot. Bonds7

About N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine

N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 65101607) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
PubChem CID65101607
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC1c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-17-6-5-16-9-11-7-12(11)10-3-4-14(18-2)13(15)8-10/h3-4,8,11-12,16H,5-7,9H2,1-2H3
InChIKeyNDRWXOVYKZUAMG-UHFFFAOYSA-N
XLogP2.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine (CID 65101607) is N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine is COCCNCC1CC1c1ccc(OC)c(F)c1.
What is the InChIKey of N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is NDRWXOVYKZUAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-6-5-16-9-11-7-12(11)10-3-4-14(18-2)13(15)8-10/h3-4,8,11-12,16H,5-7,9H2,1-2H3.
What are the key properties of N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine?
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 253.32 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65101607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).