N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine

C13H19F2N — CID 83108104

IUPACN-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine
SMILESCCNCC(F)(F)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H19F2N/c1-4-16-9-13(14,15)12-7-5-11(6-8-12)10(2)3/h5-8,10,16H,4,9H2,1-3H3
InChIKeyZJGAKICCCJEARB-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.51
Rot. Bonds5

About N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine

N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 83108104) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID83108104
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine
SMILESCCNCC(F)(F)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H19F2N/c1-4-16-9-13(14,15)12-7-5-11(6-8-12)10(2)3/h5-8,10,16H,4,9H2,1-3H3
InChIKeyZJGAKICCCJEARB-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)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-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 83108347
N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine
CID 63511266
2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 116788992
N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
CID 79830405
N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 63509011
N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
CID 62353237
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 79592046
4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid
CID 65297789
N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
CID 64716808
N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
CID 116789342
1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine
CID 116839228

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine (CID 83108104) is N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine is CCNCC(F)(F)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is ZJGAKICCCJEARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-4-16-9-13(14,15)12-7-5-11(6-8-12)10(2)3/h5-8,10,16H,4,9H2,1-3H3.
What are the key properties of N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine?
N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 227.30 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 83108104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).