3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine

C17H24F3N — CID 79342888

IUPAC3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine
SMILESCC(C)CNCC(=Cc1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C17H24F3N/c1-12(2)10-21-11-15(13(3)4)8-14-6-5-7-16(9-14)17(18,19)20/h5-9,12-13,21H,10-11H2,1-4H3
InChIKeyRUZQWJZNLWQELC-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.99
Rot. Bonds6

About 3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine

3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine (PubChem CID 79342888) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine
PubChem CID79342888
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine
SMILESCC(C)CNCC(=Cc1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C17H24F3N/c1-12(2)10-21-11-15(13(3)4)8-14-6-5-7-16(9-14)17(18,19)20/h5-9,12-13,21H,10-11H2,1-4H3
InChIKeyRUZQWJZNLWQELC-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79976727
(2E)-3-methyl-N-propyl-2-[[3-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 107105341
1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene
CID 177498684
1-[2-(bromomethyl)but-1-enyl]-3-(trifluoromethyl)benzene
CID 79323133
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287
2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81011675
N-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019920
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 64665232
1-bromo-3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 150639885
methyl (E)-2-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 11010176
1-(3,3-diethoxy-2-nitroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 159249644

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine (CID 79342888) is 3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine is CC(C)CNCC(=Cc1cccc(C(F)(F)F)c1)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine?
The InChIKey is RUZQWJZNLWQELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-12(2)10-21-11-15(13(3)4)8-14-6-5-7-16(9-14)17(18,19)20/h5-9,12-13,21H,10-11H2,1-4H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine?
3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine is sourced from PubChem (CID 79342888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).