N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine

C12H18F2N2 — CID 107441027

IUPACN'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccc(F)c(F)c1
InChIInChI=1S/C12H18F2N2/c1-8(2)9(6-15)7-16-10-3-4-11(13)12(14)5-10/h3-5,8-9,16H,6-7,15H2,1-2H3
InChIKeyMSKRWXJMUCDLJG-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.61
Rot. Bonds5

About N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine

N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441027) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441027
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC NameN'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccc(F)c(F)c1
InChIInChI=1S/C12H18F2N2/c1-8(2)9(6-15)7-16-10-3-4-11(13)12(14)5-10/h3-5,8-9,16H,6-7,15H2,1-2H3
InChIKeyMSKRWXJMUCDLJG-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442185
3-N-(3,4-difluorophenyl)propane-1,2,3-triamine
CID 115119376
N'-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107440975
2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine
CID 115137890
2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 107440958
2-propan-2-yl-N'-[4-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 107441006
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzoic acid
CID 107441688
N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine
CID 107441212
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide
CID 107441566
N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide
CID 107441669
N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine
CID 130604425
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorophenyl]carbamate
CID 107442927

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine (CID 107441027) is N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNc1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is MSKRWXJMUCDLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-8(2)9(6-15)7-16-10-3-4-11(13)12(14)5-10/h3-5,8-9,16H,6-7,15H2,1-2H3.
What are the key properties of N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 228.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).