4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline

C15H21F2NO — CID 79828523

IUPAC4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline
SMILESCC1(C)CCCCC1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2NO/c1-15(2)10-4-3-5-13(15)18-11-6-8-12(9-7-11)19-14(16)17/h6-9,13-14,18H,3-5,10H2,1-2H3
InChIKeyNRGKABIQCKCMLL-UHFFFAOYSA-N
MW269.33 g/mol
LogP4.67
Rot. Bonds4

About 4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline

4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline (PubChem CID 79828523) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline
PubChem CID79828523
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline
SMILESCC1(C)CCCCC1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2NO/c1-15(2)10-4-3-5-13(15)18-11-6-8-12(9-7-11)19-14(16)17/h6-9,13-14,18H,3-5,10H2,1-2H3
InChIKeyNRGKABIQCKCMLL-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345
4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758057
N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline
CID 79834976
4-bromo-N-(2,2-dimethylcyclohexyl)-3-methoxyaniline
CID 82858064
5-[(2,2-dimethylcyclohexyl)amino]-2-fluorobenzonitrile
CID 79835897
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide
CID 79860490
N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79859591
5-[(2,2-dimethylcyclohexyl)amino]-1-methylpyridin-2-one
CID 79835157
N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline
CID 114254485
N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 79836557
N-(2,2-dimethylcyclohexyl)-2-fluoroaniline
CID 79828760
N-(2,2-dimethylcyclopentyl)-3-methoxyaniline
CID 79864652

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline?
The IUPAC name of 4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline (CID 79828523) is 4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline?
The canonical SMILES for 4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline is CC1(C)CCCCC1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline?
The InChIKey is NRGKABIQCKCMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-15(2)10-4-3-5-13(15)18-11-6-8-12(9-7-11)19-14(16)17/h6-9,13-14,18H,3-5,10H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline?
4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline has a molecular weight of 269.33 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline is sourced from PubChem (CID 79828523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).