N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine

C11H16F2N2 — CID 115226390

IUPACN'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
SMILESCC(C)(CNCN)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2/c1-11(2,6-15-7-14)9-4-3-8(12)5-10(9)13/h3-5,15H,6-7,14H2,1-2H3
InChIKeyJMUHQWABVQCTEY-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.75
Rot. Bonds4

About N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine

N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine (PubChem CID 115226390) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine.

Molecular Properties

Compound NameN'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
PubChem CID115226390
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
SMILESCC(C)(CNCN)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2/c1-11(2,6-15-7-14)9-4-3-8(12)5-10(9)13/h3-5,15H,6-7,14H2,1-2H3
InChIKeyJMUHQWABVQCTEY-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136355
1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257137
(E)-4-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]but-2-enoic acid
CID 115237407
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-4-N-methylbenzene-1,2,4-triamine
CID 142297353
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 115263650
N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine
CID 115118563
1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
CID 54593269
2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 83819577
2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine
CID 105425208
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine?
The IUPAC name of N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine (CID 115226390) is N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine.
What is the SMILES notation for N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine?
The canonical SMILES for N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine is CC(C)(CNCN)c1ccc(F)cc1F.
What is the InChIKey of N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine?
The InChIKey is JMUHQWABVQCTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-11(2,6-15-7-14)9-4-3-8(12)5-10(9)13/h3-5,15H,6-7,14H2,1-2H3.
What are the key properties of N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine?
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine has a molecular weight of 214.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine is sourced from PubChem (CID 115226390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).