N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine

C12H18F2N2 — CID 116788792

IUPACN-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCC(F)(F)c1ccccc1
InChIInChI=1S/C12H18F2N2/c1-16(2)9-8-15-10-12(13,14)11-6-4-3-5-7-11/h3-7,15H,8-10H2,1-2H3
InChIKeyYKQJOUFWEAICPJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.93
Rot. Bonds6

About N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine

N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 116788792) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID116788792
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCC(F)(F)c1ccccc1
InChIInChI=1S/C12H18F2N2/c1-16(2)9-8-15-10-12(13,14)11-6-4-3-5-7-11/h3-7,15H,8-10H2,1-2H3
InChIKeyYKQJOUFWEAICPJ-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine 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'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine
CID 116789072
N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine
CID 116788817
6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine
CID 107844571
2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol
CID 114332065
2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine
CID 116789098
2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine
CID 114515675
2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine
CID 116788721
N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
CID 116789342
N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 116789040
(2,2-difluoro-2-phenylethyl)hydrazine
CID 116788671
2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 114187683
3-[2-[(2,2-difluoro-2-phenylethyl)amino]ethylsulfanyl]propan-1-ol
CID 114171865

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine (CID 116788792) is N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCC(F)(F)c1ccccc1.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YKQJOUFWEAICPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-16(2)9-8-15-10-12(13,14)11-6-4-3-5-7-11/h3-7,15H,8-10H2,1-2H3.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine?
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 228.29 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 116788792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).