2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine

C14H22F2N2 — CID 102903579

IUPAC2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine
SMILESCC(C)C(CNc1c(F)cc(N)cc1F)C(C)C
InChIInChI=1S/C14H22F2N2/c1-8(2)11(9(3)4)7-18-14-12(15)5-10(17)6-13(14)16/h5-6,8-9,11,18H,7,17H2,1-4H3
InChIKeyIAIZSOBVFRBTMD-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.89
Rot. Bonds5

About 2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine

2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine (PubChem CID 102903579) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine
PubChem CID102903579
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine
SMILESCC(C)C(CNc1c(F)cc(N)cc1F)C(C)C
InChIInChI=1S/C14H22F2N2/c1-8(2)11(9(3)4)7-18-14-12(15)5-10(17)6-13(14)16/h5-6,8-9,11,18H,7,17H2,1-4H3
InChIKeyIAIZSOBVFRBTMD-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine (CID 102903579) is 2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine is CC(C)C(CNc1c(F)cc(N)cc1F)C(C)C.
What is the InChIKey of 2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine?
The InChIKey is IAIZSOBVFRBTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-8(2)11(9(3)4)7-18-14-12(15)5-10(17)6-13(14)16/h5-6,8-9,11,18H,7,17H2,1-4H3.
What are the key properties of 2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine?
2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine has a molecular weight of 256.34 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine is sourced from PubChem (CID 102903579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).