ethane;N-(2-fluoropropan-2-yl)-4-methylaniline

C12H20FN — CID 170607976

IUPACethane;N-(2-fluoropropan-2-yl)-4-methylaniline
SMILESCC.Cc1ccc(NC(C)(C)F)cc1
InChIInChI=1S/C10H14FN.C2H6/c1-8-4-6-9(7-5-8)12-10(2,3)11;1-2/h4-7,12H,1-3H3;1-2H3
InChIKeyLPONOLMPCNWFLW-UHFFFAOYSA-N
MW197.30 g/mol
LogP4.14
Rot. Bonds2

About ethane;N-(2-fluoropropan-2-yl)-4-methylaniline

ethane;N-(2-fluoropropan-2-yl)-4-methylaniline (PubChem CID 170607976) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is ethane;N-(2-fluoropropan-2-yl)-4-methylaniline.

Molecular Properties

Compound Nameethane;N-(2-fluoropropan-2-yl)-4-methylaniline
PubChem CID170607976
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Nameethane;N-(2-fluoropropan-2-yl)-4-methylaniline
SMILESCC.Cc1ccc(NC(C)(C)F)cc1
InChIInChI=1S/C10H14FN.C2H6/c1-8-4-6-9(7-5-8)12-10(2,3)11;1-2/h4-7,12H,1-3H3;1-2H3
InChIKeyLPONOLMPCNWFLW-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze ethane;N-(2-fluoropropan-2-yl)-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-fluoropropan-2-yl)-4-methylaniline?
The IUPAC name of ethane;N-(2-fluoropropan-2-yl)-4-methylaniline (CID 170607976) is ethane;N-(2-fluoropropan-2-yl)-4-methylaniline.
What is the SMILES notation for ethane;N-(2-fluoropropan-2-yl)-4-methylaniline?
The canonical SMILES for ethane;N-(2-fluoropropan-2-yl)-4-methylaniline is CC.Cc1ccc(NC(C)(C)F)cc1.
What is the InChIKey of ethane;N-(2-fluoropropan-2-yl)-4-methylaniline?
The InChIKey is LPONOLMPCNWFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN.C2H6/c1-8-4-6-9(7-5-8)12-10(2,3)11;1-2/h4-7,12H,1-3H3;1-2H3.
What are the key properties of ethane;N-(2-fluoropropan-2-yl)-4-methylaniline?
ethane;N-(2-fluoropropan-2-yl)-4-methylaniline has a molecular weight of 197.30 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-fluoropropan-2-yl)-4-methylaniline is sourced from PubChem (CID 170607976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).