N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine

C15H20F3N — CID 79599160

IUPACN-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
SMILESCC(C)(C)NCCC=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N/c1-14(2,3)19-10-5-4-7-12-8-6-9-13(11-12)15(16,17)18/h4,6-9,11,19H,5,10H2,1-3H3
InChIKeyZVLJIWOPWWWKJG-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.50
Rot. Bonds4

About N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine

N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine (PubChem CID 79599160) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
PubChem CID79599160
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
SMILESCC(C)(C)NCCC=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N/c1-14(2,3)19-10-5-4-7-12-8-6-9-13(11-12)15(16,17)18/h4,6-9,11,19H,5,10H2,1-3H3
InChIKeyZVLJIWOPWWWKJG-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene
CID 79016492
(E)-N-tert-butyl-4-(3-fluoro-4-methylphenyl)but-3-en-1-amine
CID 107129532
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843
5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
CID 171372447
N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine
CID 79592735
1-(4-bromobut-1-enyl)-3-tert-butylbenzene
CID 170497666
N-tert-butyl-4-(3-fluoro-5-methylphenyl)but-3-en-1-amine
CID 79703507
1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene
CID 71608776
3-[3-(trifluoromethyl)phenyl]prop-2-enyl methanesulfonate
CID 91411558
N-methyl-4-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79591557
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 46194726
N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79592558

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine (CID 79599160) is N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine is CC(C)(C)NCCC=Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine?
The InChIKey is ZVLJIWOPWWWKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-14(2,3)19-10-5-4-7-12-8-6-9-13(11-12)15(16,17)18/h4,6-9,11,19H,5,10H2,1-3H3.
What are the key properties of N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine?
N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine is sourced from PubChem (CID 79599160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).