(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine

C17H25F2N — CID 115525791

IUPAC(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine
SMILESCC(C)/C(=C/c1ccc(C(F)F)cc1)CNC(C)(C)C
InChIInChI=1S/C17H25F2N/c1-12(2)15(11-20-17(3,4)5)10-13-6-8-14(9-7-13)16(18)19/h6-10,12,16,20H,11H2,1-5H3/b15-10+
InChIKeyUXVNGQRKRMLLTM-XNTDXEJSSA-N
MW281.39 g/mol
LogP5.05
Rot. Bonds5

About (2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine

(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine (PubChem CID 115525791) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is (2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine.

Molecular Properties

Compound Name(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine
PubChem CID115525791
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine
SMILESCC(C)/C(=C/c1ccc(C(F)F)cc1)CNC(C)(C)C
InChIInChI=1S/C17H25F2N/c1-12(2)15(11-20-17(3,4)5)10-13-6-8-14(9-7-13)16(18)19/h6-10,12,16,20H,11H2,1-5H3/b15-10+
InChIKeyUXVNGQRKRMLLTM-XNTDXEJSSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine?
The IUPAC name of (2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine (CID 115525791) is (2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine.
What is the SMILES notation for (2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine?
The canonical SMILES for (2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine is CC(C)/C(=C/c1ccc(C(F)F)cc1)CNC(C)(C)C.
What is the InChIKey of (2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine?
The InChIKey is UXVNGQRKRMLLTM-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H25F2N/c1-12(2)15(11-20-17(3,4)5)10-13-6-8-14(9-7-13)16(18)19/h6-10,12,16,20H,11H2,1-5H3/b15-10+.
What are the key properties of (2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine?
(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine is sourced from PubChem (CID 115525791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).