2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine

C14H21F2NO2 — CID 103081275

IUPAC2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(CNCCOCC(F)F)cc1
InChIInChI=1S/C14H21F2NO2/c1-2-8-19-13-5-3-12(4-6-13)10-17-7-9-18-11-14(15)16/h3-6,14,17H,2,7-11H2,1H3
InChIKeyBEJFPXCJTOWSAS-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.85
Rot. Bonds10

About 2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine

2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine (PubChem CID 103081275) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine
PubChem CID103081275
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(CNCCOCC(F)F)cc1
InChIInChI=1S/C14H21F2NO2/c1-2-8-19-13-5-3-12(4-6-13)10-17-7-9-18-11-14(15)16/h3-6,14,17H,2,7-11H2,1H3
InChIKeyBEJFPXCJTOWSAS-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine 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

N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]ethanamine
CID 82007121
N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007237
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-methyl-2-[(4-propoxyphenyl)methylamino]ethanesulfonamide
CID 102675093
2-(2,2-difluoroethoxy)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 103527742
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553735
1-methoxy-4-[(4-pentoxyphenyl)methylamino]butan-2-ol
CID 103876257
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine (CID 103081275) is 2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine is CCCOc1ccc(CNCCOCC(F)F)cc1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine?
The InChIKey is BEJFPXCJTOWSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-2-8-19-13-5-3-12(4-6-13)10-17-7-9-18-11-14(15)16/h3-6,14,17H,2,7-11H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine has a molecular weight of 273.32 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 103081275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).