N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline

C15H21F2NO — CID 43766730

IUPACN-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline
SMILESCC(Nc1ccccc1OC(F)F)C1CCCCC1
InChIInChI=1S/C15H21F2NO/c1-11(12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-15(16)17/h5-6,9-12,15,18H,2-4,7-8H2,1H3
InChIKeyMEMBPRDKGDRILW-UHFFFAOYSA-N
MW269.33 g/mol
LogP4.67
Rot. Bonds5

About N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline

N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline (PubChem CID 43766730) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline
PubChem CID43766730
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline
SMILESCC(Nc1ccccc1OC(F)F)C1CCCCC1
InChIInChI=1S/C15H21F2NO/c1-11(12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-15(16)17/h5-6,9-12,15,18H,2-4,7-8H2,1H3
InChIKeyMEMBPRDKGDRILW-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
CID 81390973
N-(1-cyclohexylethyl)-2-propan-2-ylaniline
CID 43759431
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline
CID 43739139
2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
CID 43106368
N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine
CID 65081271
[2-(1-cyclopentylethylamino)phenyl]methanol
CID 62632467
2-(difluoromethoxy)-N-(2-methylpentan-3-yl)aniline
CID 43766728
cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
CID 114981451
N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 114981698
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
N-[2-(difluoromethoxy)phenyl]thian-4-amine
CID 43511331
N-(1-cyclopentylethyl)-2-methylsulfonylaniline
CID 62631561

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline?
The IUPAC name of N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline (CID 43766730) is N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline?
The canonical SMILES for N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline is CC(Nc1ccccc1OC(F)F)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline?
The InChIKey is MEMBPRDKGDRILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11(12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-15(16)17/h5-6,9-12,15,18H,2-4,7-8H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline?
N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline has a molecular weight of 269.33 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline is sourced from PubChem (CID 43766730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).