N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine

C15H23F2NO2 — CID 79891677

IUPACN-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine
SMILESCCCCCOc1c(F)cc(CNCCOC)cc1F
InChIInChI=1S/C15H23F2NO2/c1-3-4-5-7-20-15-13(16)9-12(10-14(15)17)11-18-6-8-19-2/h9-10,18H,3-8,11H2,1-2H3
InChIKeyICYRBCVRCAAUKH-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.27
Rot. Bonds10

About N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine

N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 79891677) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID79891677
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine
SMILESCCCCCOc1c(F)cc(CNCCOC)cc1F
InChIInChI=1S/C15H23F2NO2/c1-3-4-5-7-20-15-13(16)9-12(10-14(15)17)11-18-6-8-19-2/h9-10,18H,3-8,11H2,1-2H3
InChIKeyICYRBCVRCAAUKH-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.27
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

N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 63062027
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240
N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine
CID 79884084
6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol
CID 107702737
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]propan-1-ol
CID 79891940
1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 79884097
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863
2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 79891535
N-[(3,5-difluoro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 79883668
N-[[3,5-difluoro-4-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-1-amine
CID 115513284
N-[[3,5-difluoro-4-(3-methoxy-3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 103032859
N-[[3,5-dibromo-4-(4-methoxybutoxy)phenyl]methyl]-2-methoxyethanamine
CID 107744687

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine (CID 79891677) is N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine is CCCCCOc1c(F)cc(CNCCOC)cc1F.
What is the InChIKey of N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is ICYRBCVRCAAUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-3-4-5-7-20-15-13(16)9-12(10-14(15)17)11-18-6-8-19-2/h9-10,18H,3-8,11H2,1-2H3.
What are the key properties of N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine?
N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 287.35 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 79891677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).