N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine

C16H15F4N — CID 116789040

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
SMILESFc1cc(F)cc(CCNCC(F)(F)c2ccccc2)c1
InChIInChI=1S/C16H15F4N/c17-14-8-12(9-15(18)10-14)6-7-21-11-16(19,20)13-4-2-1-3-5-13/h1-5,8-10,21H,6-7,11H2
InChIKeyKLRNTERAAHXNNN-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.89
Rot. Bonds6

About N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine

N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine (PubChem CID 116789040) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
PubChem CID116789040
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
SMILESFc1cc(F)cc(CCNCC(F)(F)c2ccccc2)c1
InChIInChI=1S/C16H15F4N/c17-14-8-12(9-15(18)10-14)6-7-21-11-16(19,20)13-4-2-1-3-5-13/h1-5,8-10,21H,6-7,11H2
InChIKeyKLRNTERAAHXNNN-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-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

1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62603873
2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine
CID 116788721
2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43566240
1,3-difluoro-5-(2-phenylethyl)benzene
CID 90780533
N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328275
N-[2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 64554825
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
CID 116788792
(2,2-difluoro-2-phenylethyl)hydrazine
CID 116788671
6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine
CID 107844571
2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine
CID 116789196
N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine
CID 116788817
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine (CID 116789040) is N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine is Fc1cc(F)cc(CCNCC(F)(F)c2ccccc2)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine?
The InChIKey is KLRNTERAAHXNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c17-14-8-12(9-15(18)10-14)6-7-21-11-16(19,20)13-4-2-1-3-5-13/h1-5,8-10,21H,6-7,11H2.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine?
N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine has a molecular weight of 297.30 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine is sourced from PubChem (CID 116789040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).