4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline

C14H19F2NO — CID 63734479

IUPAC4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline
SMILESNc1ccc(OCC2CCCCC2)c(C(F)F)c1
InChIInChI=1S/C14H19F2NO/c15-14(16)12-8-11(17)6-7-13(12)18-9-10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,17H2
InChIKeyXLRQMEFPIGHMTB-UHFFFAOYSA-N
MW255.31 g/mol
LogP4.17
Rot. Bonds4

About 4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline

4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline (PubChem CID 63734479) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline
PubChem CID63734479
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline
SMILESNc1ccc(OCC2CCCCC2)c(C(F)F)c1
InChIInChI=1S/C14H19F2NO/c15-14(16)12-8-11(17)6-7-13(12)18-9-10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,17H2
InChIKeyXLRQMEFPIGHMTB-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 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 ≤ 54.17
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-cycloheptyloxy-3-(difluoromethyl)aniline
CID 55228706
4-(cycloheptylmethoxy)-3-iodoaniline
CID 114248007
4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene
CID 165416562
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
3-(difluoromethyl)-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 63736374
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
2-(cyclohexylmethoxy)quinolin-6-amine
CID 62382729
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine
CID 63734282

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline?
The IUPAC name of 4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline (CID 63734479) is 4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline.
What is the SMILES notation for 4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline?
The canonical SMILES for 4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline is Nc1ccc(OCC2CCCCC2)c(C(F)F)c1.
What is the InChIKey of 4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline?
The InChIKey is XLRQMEFPIGHMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-14(16)12-8-11(17)6-7-13(12)18-9-10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,17H2.
What are the key properties of 4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline?
4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline has a molecular weight of 255.31 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline is sourced from PubChem (CID 63734479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).