3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline

C16H23F2NO — CID 43698673

IUPAC3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C16H23F2NO/c1-2-4-12-7-9-13(10-8-12)19-14-5-3-6-15(11-14)20-16(17)18/h3,5-6,11-13,16,19H,2,4,7-10H2,1H3
InChIKeyNREHDKWKPDGFED-UHFFFAOYSA-N
MW283.36 g/mol
LogP5.06
Rot. Bonds6

About 3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline

3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline (PubChem CID 43698673) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline
PubChem CID43698673
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C16H23F2NO/c1-2-4-12-7-9-13(10-8-12)19-14-5-3-6-15(11-14)20-16(17)18/h3,5-6,11-13,16,19H,2,4,7-10H2,1H3
InChIKeyNREHDKWKPDGFED-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.36
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754052
3-[(4-propylcyclohexyl)amino]benzamide
CID 28540902
ethyl 3-[(4-propylcyclohexyl)amino]benzoate
CID 43139424
4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide
CID 43783712
N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43783705
4-(3-butan-2-yloxyanilino)cyclohexan-1-ol
CID 106594573
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753647
3-(difluoromethoxy)-N-heptan-4-ylaniline
CID 43698946
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455741
3-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64755472

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline?
The IUPAC name of 3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline (CID 43698673) is 3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline is CCCC1CCC(Nc2cccc(OC(F)F)c2)CC1.
What is the InChIKey of 3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline?
The InChIKey is NREHDKWKPDGFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-2-4-12-7-9-13(10-8-12)19-14-5-3-6-15(11-14)20-16(17)18/h3,5-6,11-13,16,19H,2,4,7-10H2,1H3.
What are the key properties of 3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline?
3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline has a molecular weight of 283.36 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline is sourced from PubChem (CID 43698673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).