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

C16H25F2NO2 — CID 79884084

IUPACN-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCCCC(C)COc1c(F)cc(CNCCOC)cc1F
InChIInChI=1S/C16H25F2NO2/c1-4-5-12(2)11-21-16-14(17)8-13(9-15(16)18)10-19-6-7-20-3/h8-9,12,19H,4-7,10-11H2,1-3H3
InChIKeyBQTSFNWBHBFAED-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.52
Rot. Bonds10

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

N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 79884084) has the molecular formula C16H25F2NO2 and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID79884084
Molecular FormulaC16H25F2NO2
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC NameN-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCCCC(C)COc1c(F)cc(CNCCOC)cc1F
InChIInChI=1S/C16H25F2NO2/c1-4-5-12(2)11-21-16-14(17)8-13(9-15(16)18)10-19-6-7-20-3/h8-9,12,19H,4-7,10-11H2,1-3H3
InChIKeyBQTSFNWBHBFAED-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 79884097
N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 79891677
N-[[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]methyl]propan-1-amine
CID 79891944
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107687215
2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 79891535
N-[(4-butan-2-ylsulfanyl-3,5-difluorophenyl)methyl]-2-methoxyethanamine
CID 63806055
N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62266219
N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)aniline
CID 63060197
N-[[3,5-difluoro-4-(3-methylbutylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 107761884
N-[[3,5-dibromo-4-(2,2-difluoroethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107744660
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]propan-1-ol
CID 79891940
N-[[3,5-difluoro-4-(3-methoxy-3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 103032859

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine (CID 79884084) is N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine is CCCC(C)COc1c(F)cc(CNCCOC)cc1F.
What is the InChIKey of N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is BQTSFNWBHBFAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO2/c1-4-5-12(2)11-21-16-14(17)8-13(9-15(16)18)10-19-6-7-20-3/h8-9,12,19H,4-7,10-11H2,1-3H3.
What are the key properties of N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 301.38 g/mol, XLogP of 3.52, 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-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79884084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).