N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine

C13H20F2N2 — CID 115204315

IUPACN-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCN(CC(C)(C)CCN)c1ccc(F)c(F)c1
InChIInChI=1S/C13H20F2N2/c1-13(2,6-7-16)9-17(3)10-4-5-11(14)12(15)8-10/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyIFFPILKPYGWFKG-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.78
Rot. Bonds5

About N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine

N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine (PubChem CID 115204315) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
PubChem CID115204315
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC NameN-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCN(CC(C)(C)CCN)c1ccc(F)c(F)c1
InChIInChI=1S/C13H20F2N2/c1-13(2,6-7-16)9-17(3)10-4-5-11(14)12(15)8-10/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyIFFPILKPYGWFKG-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134569
3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257757
N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204299
5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
CID 115204316
N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline
CID 155197841
N-[(4-fluoro-3-methylphenyl)methyl]-N,2,2-trimethylbutane-1,4-diamine
CID 115204487
4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol
CID 117039096
N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204284
N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine
CID 115204362
N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204304
3-N-(3-chloro-4-fluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134602

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine (CID 115204315) is N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine is CN(CC(C)(C)CCN)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine?
The InChIKey is IFFPILKPYGWFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-13(2,6-7-16)9-17(3)10-4-5-11(14)12(15)8-10/h4-5,8H,6-7,9,16H2,1-3H3.
What are the key properties of N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine?
N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 115204315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).