ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline

C14H22F3NO — CID 143095395

IUPACethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline
SMILESCC.COCCN(C)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C12H16F3NO.C2H6/c1-9-8-10(12(13,14)15)4-5-11(9)16(2)6-7-17-3;1-2/h4-5,8H,6-7H2,1-3H3;1-2H3
InChIKeyXLAABFGKNXESQD-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.12
Rot. Bonds4

About ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline

ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline (PubChem CID 143095395) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Nameethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline
PubChem CID143095395
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Nameethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline
SMILESCC.COCCN(C)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C12H16F3NO.C2H6/c1-9-8-10(12(13,14)15)4-5-11(9)16(2)6-7-17-3;1-2/h4-5,8H,6-7H2,1-3H3;1-2H3
InChIKeyXLAABFGKNXESQD-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline?
The IUPAC name of ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline (CID 143095395) is ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline?
The canonical SMILES for ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline is CC.COCCN(C)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline?
The InChIKey is XLAABFGKNXESQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO.C2H6/c1-9-8-10(12(13,14)15)4-5-11(9)16(2)6-7-17-3;1-2/h4-5,8H,6-7H2,1-3H3;1-2H3.
What are the key properties of ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline?
ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline has a molecular weight of 277.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 143095395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).