N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

C14H22F2N2 — CID 116789654

IUPACN'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)CC(F)(F)c1ccccc1
InChIInChI=1S/C14H22F2N2/c1-12(2)10-18(9-8-17)11-14(15,16)13-6-4-3-5-7-13/h3-7,12H,8-11,17H2,1-2H3
InChIKeyFTZWRHRFEAVENQ-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.70
Rot. Bonds7

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

N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 116789654) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID116789654
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC NameN'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)CC(F)(F)c1ccccc1
InChIInChI=1S/C14H22F2N2/c1-12(2)10-18(9-8-17)11-14(15,16)13-6-4-3-5-7-13/h3-7,12H,8-11,17H2,1-2H3
InChIKeyFTZWRHRFEAVENQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 116789548
1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine
CID 116790603
1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 116790104
3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
CID 62270669
3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol
CID 116790403
4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol
CID 19909925
2-[(2,2-difluoro-2-phenylethyl)-ethylamino]ethanethioamide
CID 116789419
2-amino-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62488944
2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile
CID 116789388
N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494795
1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine
CID 116790609
2,2-dimethyl-N',N'-bis(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 63493468

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (CID 116789654) is N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN)CC(F)(F)c1ccccc1.
What is the InChIKey of N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is FTZWRHRFEAVENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-12(2)10-18(9-8-17)11-14(15,16)13-6-4-3-5-7-13/h3-7,12H,8-11,17H2,1-2H3.
What are the key properties of N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.70, 7 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'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 116789654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).