2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine

C17H19F2NO — CID 116788721

IUPAC2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine
SMILESCOc1ccc(CCNCC(F)(F)c2ccccc2)cc1
InChIInChI=1S/C17H19F2NO/c1-21-16-9-7-14(8-10-16)11-12-20-13-17(18,19)15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3
InChIKeyZILVSDXYXLJQSJ-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.62
Rot. Bonds7

About 2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine

2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine (PubChem CID 116788721) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine
PubChem CID116788721
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine
SMILESCOc1ccc(CCNCC(F)(F)c2ccccc2)cc1
InChIInChI=1S/C17H19F2NO/c1-21-16-9-7-14(8-10-16)11-12-20-13-17(18,19)15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3
InChIKeyZILVSDXYXLJQSJ-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine 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-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 65445010
N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 116789040
N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine
CID 116788817
N-[2-(4-methoxyphenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328049
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 106140377
2-(chloromethyl)-2-ethyl-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106252547
2-[1,1,1-trifluoro-3-[2-(4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]oxyacetaldehyde
CID 166517037
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine?
The IUPAC name of 2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine (CID 116788721) is 2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine.
What is the SMILES notation for 2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine?
The canonical SMILES for 2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine is COc1ccc(CCNCC(F)(F)c2ccccc2)cc1.
What is the InChIKey of 2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine?
The InChIKey is ZILVSDXYXLJQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-21-16-9-7-14(8-10-16)11-12-20-13-17(18,19)15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3.
What are the key properties of 2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine?
2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine is sourced from PubChem (CID 116788721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).