2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine

C14H22F2N2 — CID 115324658

IUPAC2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine
SMILESCC(C)CCCCNc1ccc(N)cc1C(F)F
InChIInChI=1S/C14H22F2N2/c1-10(2)5-3-4-8-18-13-7-6-11(17)9-12(13)14(15)16/h6-7,9-10,14,18H,3-5,8,17H2,1-2H3
InChIKeyDXCWWBDQEXKFGE-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.44
Rot. Bonds7

About 2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine (PubChem CID 115324658) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine
PubChem CID115324658
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine
SMILESCC(C)CCCCNc1ccc(N)cc1C(F)F
InChIInChI=1S/C14H22F2N2/c1-10(2)5-3-4-8-18-13-7-6-11(17)9-12(13)14(15)16/h6-7,9-10,14,18H,3-5,8,17H2,1-2H3
InChIKeyDXCWWBDQEXKFGE-UHFFFAOYSA-N
XLogP4.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine
CID 115566133
2-(difluoromethyl)-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
CID 63983332
2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 55230611
5-amino-2-(7-methyloctylamino)benzenesulfonamide
CID 107814721
5-amino-2-(7-methyloctylamino)benzoic acid
CID 107817773
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
2-(difluoromethyl)-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 63734281
2-(difluoromethyl)-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine
CID 63750242
2-(difluoromethyl)-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 63749720
3-fluoro-1-N-(5-methylhexyl)benzene-1,2-diamine
CID 115324654
2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine
CID 63736165
1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine
CID 164917837

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine (CID 115324658) is 2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine is CC(C)CCCCNc1ccc(N)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine?
The InChIKey is DXCWWBDQEXKFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-10(2)5-3-4-8-18-13-7-6-11(17)9-12(13)14(15)16/h6-7,9-10,14,18H,3-5,8,17H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine has a molecular weight of 256.34 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine is sourced from PubChem (CID 115324658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).