2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline

C16H23F2N3O — CID 164568540

IUPAC2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline
SMILESCN1CCC2(CC1)CCN(c1ccc(N)c(OC(F)F)c1)C2
InChIInChI=1S/C16H23F2N3O/c1-20-7-4-16(5-8-20)6-9-21(11-16)12-2-3-13(19)14(10-12)22-15(17)18/h2-3,10,15H,4-9,11,19H2,1H3
InChIKeyHXSSOPXCPZKMRT-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.79
Rot. Bonds3

About 2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline

2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline (PubChem CID 164568540) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline
PubChem CID164568540
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline
SMILESCN1CCC2(CC1)CCN(c1ccc(N)c(OC(F)F)c1)C2
InChIInChI=1S/C16H23F2N3O/c1-20-7-4-16(5-8-20)6-9-21(11-16)12-2-3-13(19)14(10-12)22-15(17)18/h2-3,10,15H,4-9,11,19H2,1H3
InChIKeyHXSSOPXCPZKMRT-UHFFFAOYSA-N
XLogP2.79
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline?
The IUPAC name of 2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline (CID 164568540) is 2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline is CN1CCC2(CC1)CCN(c1ccc(N)c(OC(F)F)c1)C2.
What is the InChIKey of 2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline?
The InChIKey is HXSSOPXCPZKMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O/c1-20-7-4-16(5-8-20)6-9-21(11-16)12-2-3-13(19)14(10-12)22-15(17)18/h2-3,10,15H,4-9,11,19H2,1H3.
What are the key properties of 2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline?
2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline has a molecular weight of 311.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline is sourced from PubChem (CID 164568540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).