2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline

C14H19F2NO — CID 43106368

IUPAC2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccccc2OC(F)F)C1
InChIInChI=1S/C14H19F2NO/c1-10-5-4-6-11(9-10)17-12-7-2-3-8-13(12)18-14(15)16/h2-3,7-8,10-11,14,17H,4-6,9H2,1H3
InChIKeyOAWNTGVPHFWQQB-UHFFFAOYSA-N
MW255.31 g/mol
LogP4.28
Rot. Bonds4

About 2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline

2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline (PubChem CID 43106368) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
PubChem CID43106368
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccccc2OC(F)F)C1
InChIInChI=1S/C14H19F2NO/c1-10-5-4-6-11(9-10)17-12-7-2-3-8-13(12)18-14(15)16/h2-3,7-8,10-11,14,17H,4-6,9H2,1H3
InChIKeyOAWNTGVPHFWQQB-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine
CID 65081271
N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline
CID 63453489
N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine
CID 79941506
N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81465818
N-[2-(difluoromethoxy)phenyl]thian-4-amine
CID 43511331
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142
N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine
CID 62977442
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
CID 106871886
3-bromo-5-chloro-2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
CID 43691052
N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline
CID 43766730
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 107447794
2,4-difluoro-N-(3-methylcyclohexyl)aniline
CID 43104581

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline (CID 43106368) is 2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline is CC1CCCC(Nc2ccccc2OC(F)F)C1.
What is the InChIKey of 2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline?
The InChIKey is OAWNTGVPHFWQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10-5-4-6-11(9-10)17-12-7-2-3-8-13(12)18-14(15)16/h2-3,7-8,10-11,14,17H,4-6,9H2,1H3.
What are the key properties of 2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline?
2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline has a molecular weight of 255.31 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 43106368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).