1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine

C14H22F2N2 — CID 115136355

IUPAC1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNCC(C)(C)c1ccc(F)cc1F
InChIInChI=1S/C14H22F2N2/c1-13(2,8-18-9-14(3,4)17)11-6-5-10(15)7-12(11)16/h5-7,18H,8-9,17H2,1-4H3
InChIKeyMNYQMFQABJPGCJ-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.57
Rot. Bonds5

About 1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine

1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine (PubChem CID 115136355) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
PubChem CID115136355
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNCC(C)(C)c1ccc(F)cc1F
InChIInChI=1S/C14H22F2N2/c1-13(2,8-18-9-14(3,4)17)11-6-5-10(15)7-12(11)16/h5-7,18H,8-9,17H2,1-4H3
InChIKeyMNYQMFQABJPGCJ-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
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
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-4-N-methylbenzene-1,2,4-triamine
CID 142297353
2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride
CID 116866432
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-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839410
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 1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine (CID 115136355) is 1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine is CC(C)(N)CNCC(C)(C)c1ccc(F)cc1F.
What is the InChIKey of 1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine?
The InChIKey is MNYQMFQABJPGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-13(2,8-18-9-14(3,4)17)11-6-5-10(15)7-12(11)16/h5-7,18H,8-9,17H2,1-4H3.
What are the key properties of 1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine?
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115136355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).