4-cycloheptyloxy-3-(difluoromethyl)aniline

C14H19F2NO — CID 55228706

IUPAC4-cycloheptyloxy-3-(difluoromethyl)aniline
SMILESNc1ccc(OC2CCCCCC2)c(C(F)F)c1
InChIInChI=1S/C14H19F2NO/c15-14(16)12-9-10(17)7-8-13(12)18-11-5-3-1-2-4-6-11/h7-9,11,14H,1-6,17H2
InChIKeySGUGNKVRFVCWJJ-UHFFFAOYSA-N
MW255.31 g/mol
LogP4.31
Rot. Bonds3

About 4-cycloheptyloxy-3-(difluoromethyl)aniline

4-cycloheptyloxy-3-(difluoromethyl)aniline (PubChem CID 55228706) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-cycloheptyloxy-3-(difluoromethyl)aniline.

Molecular Properties

Compound Name4-cycloheptyloxy-3-(difluoromethyl)aniline
PubChem CID55228706
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-cycloheptyloxy-3-(difluoromethyl)aniline
SMILESNc1ccc(OC2CCCCCC2)c(C(F)F)c1
InChIInChI=1S/C14H19F2NO/c15-14(16)12-9-10(17)7-8-13(12)18-11-5-3-1-2-4-6-11/h7-9,11,14H,1-6,17H2
InChIKeySGUGNKVRFVCWJJ-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 54.31
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

4-cyclohexyloxy-3-fluoroaniline
CID 19627258
4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline
CID 63734479
1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine
CID 63734282
5-amino-2-cyclohexyloxybenzamide
CID 55125066
3-(difluoromethyl)-4-(3,3,5-trimethylcyclohexyl)oxyaniline
CID 63736558
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
4-cyclohexyloxy-3-phenylmethoxyaniline
CID 164888754
(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol
CID 82929051
3-(difluoromethyl)-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 63736374
2,5-dicyclohexyloxyphenol
CID 139941916

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-3-(difluoromethyl)aniline?
The IUPAC name of 4-cycloheptyloxy-3-(difluoromethyl)aniline (CID 55228706) is 4-cycloheptyloxy-3-(difluoromethyl)aniline.
What is the SMILES notation for 4-cycloheptyloxy-3-(difluoromethyl)aniline?
The canonical SMILES for 4-cycloheptyloxy-3-(difluoromethyl)aniline is Nc1ccc(OC2CCCCCC2)c(C(F)F)c1.
What is the InChIKey of 4-cycloheptyloxy-3-(difluoromethyl)aniline?
The InChIKey is SGUGNKVRFVCWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-14(16)12-9-10(17)7-8-13(12)18-11-5-3-1-2-4-6-11/h7-9,11,14H,1-6,17H2.
What are the key properties of 4-cycloheptyloxy-3-(difluoromethyl)aniline?
4-cycloheptyloxy-3-(difluoromethyl)aniline has a molecular weight of 255.31 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-3-(difluoromethyl)aniline is sourced from PubChem (CID 55228706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).