N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine

C14H21F2NO2 — CID 115526613

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine
SMILESCCOC(CNCc1cccc(C(F)F)c1)OCC
InChIInChI=1S/C14H21F2NO2/c1-3-18-13(19-4-2)10-17-9-11-6-5-7-12(8-11)14(15)16/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyXBXSOJGDGVFORX-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.11
Rot. Bonds9

About N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine

N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine (PubChem CID 115526613) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine
PubChem CID115526613
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine
SMILESCCOC(CNCc1cccc(C(F)F)c1)OCC
InChIInChI=1S/C14H21F2NO2/c1-3-18-13(19-4-2)10-17-9-11-6-5-7-12(8-11)14(15)16/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyXBXSOJGDGVFORX-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine 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

2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 78910480
N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine
CID 106007636
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 115525876
3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol
CID 114093162
1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol
CID 142673140
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
N-[[4-(difluoromethoxy)phenyl]methyl]-2,2-diethoxyethanamine
CID 78910455
N-[[3-(difluoromethyl)phenyl]methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 113328744
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-en-1-amine
CID 115525877
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
CID 114331434
tert-butyl N-[1-[[3-(difluoromethyl)phenyl]methylamino]propan-2-yl]carbamate
CID 107247607
N-[[3-(difluoromethyl)phenyl]methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 115526373

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine (CID 115526613) is N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine is CCOC(CNCc1cccc(C(F)F)c1)OCC.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine?
The InChIKey is XBXSOJGDGVFORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-3-18-13(19-4-2)10-17-9-11-6-5-7-12(8-11)14(15)16/h5-8,13-14,17H,3-4,9-10H2,1-2H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine?
N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine has a molecular weight of 273.32 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine is sourced from PubChem (CID 115526613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).