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

C14H20F2N2 — CID 61444665

IUPAC2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
SMILESCC1CCCC(N(C)c2c(F)cc(N)cc2F)C1
InChIInChI=1S/C14H20F2N2/c1-9-4-3-5-11(6-9)18(2)14-12(15)7-10(17)8-13(14)16/h7-9,11H,3-6,17H2,1-2H3
InChIKeyRTSYORRDFUZMDY-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.56
Rot. Bonds2

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

2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine (PubChem CID 61444665) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
PubChem CID61444665
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
SMILESCC1CCCC(N(C)c2c(F)cc(N)cc2F)C1
InChIInChI=1S/C14H20F2N2/c1-9-4-3-5-11(6-9)18(2)14-12(15)7-10(17)8-13(14)16/h7-9,11H,3-6,17H2,1-2H3
InChIKeyRTSYORRDFUZMDY-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
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-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine (CID 61444665) is 2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine is CC1CCCC(N(C)c2c(F)cc(N)cc2F)C1.
What is the InChIKey of 2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine?
The InChIKey is RTSYORRDFUZMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-9-4-3-5-11(6-9)18(2)14-12(15)7-10(17)8-13(14)16/h7-9,11H,3-6,17H2,1-2H3.
What are the key properties of 2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine?
2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine has a molecular weight of 254.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine is sourced from PubChem (CID 61444665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).