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

C15H22F2N2 — CID 63734959

IUPAC2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
SMILESCC1CCCC(N(C)c2ccc(N)cc2C(F)F)C1
InChIInChI=1S/C15H22F2N2/c1-10-4-3-5-12(8-10)19(2)14-7-6-11(18)9-13(14)15(16)17/h6-7,9-10,12,15H,3-5,8,18H2,1-2H3
InChIKeyUPUKCWLLMGDPBB-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.22
Rot. Bonds3

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

2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine (PubChem CID 63734959) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
PubChem CID63734959
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
SMILESCC1CCCC(N(C)c2ccc(N)cc2C(F)F)C1
InChIInChI=1S/C15H22F2N2/c1-10-4-3-5-12(8-10)19(2)14-7-6-11(18)9-13(14)15(16)17/h6-7,9-10,12,15H,3-5,8,18H2,1-2H3
InChIKeyUPUKCWLLMGDPBB-UHFFFAOYSA-N
XLogP4.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.22
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-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine (CID 63734959) is 2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine is CC1CCCC(N(C)c2ccc(N)cc2C(F)F)C1.
What is the InChIKey of 2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine?
The InChIKey is UPUKCWLLMGDPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-10-4-3-5-12(8-10)19(2)14-7-6-11(18)9-13(14)15(16)17/h6-7,9-10,12,15H,3-5,8,18H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine has a molecular weight of 268.35 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine is sourced from PubChem (CID 63734959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).