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

C15H22F2N2 — CID 63734627

IUPAC2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine
SMILESCC1CCCCC1N(C)c1ccc(N)cc1C(F)F
InChIInChI=1S/C15H22F2N2/c1-10-5-3-4-6-13(10)19(2)14-8-7-11(18)9-12(14)15(16)17/h7-10,13,15H,3-6,18H2,1-2H3
InChIKeyVMNDOMUAMQJYCS-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.22
Rot. Bonds3

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

2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine (PubChem CID 63734627) 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-(2-methylcyclohexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine
PubChem CID63734627
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine
SMILESCC1CCCCC1N(C)c1ccc(N)cc1C(F)F
InChIInChI=1S/C15H22F2N2/c1-10-5-3-4-6-13(10)19(2)14-8-7-11(18)9-12(14)15(16)17/h7-10,13,15H,3-6,18H2,1-2H3
InChIKeyVMNDOMUAMQJYCS-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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Related Compounds

2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 63734959
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
CID 55189609
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline
CID 78935534
1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947310
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 63735637
1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine
CID 62912657
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 63734970
3-chloro-4-[methyl-(2-methylcyclohexyl)amino]benzenecarbothioamide
CID 63520304
2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine
CID 63749183
3-methyl-4-[methyl-(2-methylcyclohexyl)amino]benzonitrile
CID 55194796
1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402832
4-cycloheptyloxy-3-(difluoromethyl)aniline
CID 55228706

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine (CID 63734627) is 2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine is CC1CCCCC1N(C)c1ccc(N)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine?
The InChIKey is VMNDOMUAMQJYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-10-5-3-4-6-13(10)19(2)14-8-7-11(18)9-12(14)15(16)17/h7-10,13,15H,3-6,18H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-methyl-1-N-(2-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-(2-methylcyclohexyl)benzene-1,4-diamine is sourced from PubChem (CID 63734627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).