2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine

C16H22F3N — CID 155617385

IUPAC2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine
SMILESCC(C)=CC(N)CC(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N/c1-11(2)9-14(20)10-15(3,4)12-5-7-13(8-6-12)16(17,18)19/h5-9,14H,10,20H2,1-4H3
InChIKeyOFTRURJOELHVDU-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.67
Rot. Bonds4

About 2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine

2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine (PubChem CID 155617385) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine
PubChem CID155617385
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine
SMILESCC(C)=CC(N)CC(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N/c1-11(2)9-14(20)10-15(3,4)12-5-7-13(8-6-12)16(17,18)19/h5-9,14H,10,20H2,1-4H3
InChIKeyOFTRURJOELHVDU-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-[4-(Trifluoromethyl)phenyl]ethan-1-amine
CID 1988106
(S)-Norfenfluramine
CID 9815618
alpha-Methyl-4-(trifluoromethyl)benzeneethanamine
CID 121502
Phenethylamine, alpha-propyl-
CID 115410
Norfenfluramine hydrochloride
CID 120765
1-(4-Isopropylphenyl)ethanamine
CID 3728039
4-tert-Butylbenzylamine
CID 2735655
2-(4-Tert-butylphenyl)ethan-1-amine
CID 2735689
(4-Tert-butylphenyl)methanamine hydrochloride
CID 16637809

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine?
The IUPAC name of 2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine (CID 155617385) is 2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine.
What is the SMILES notation for 2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine?
The canonical SMILES for 2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine is CC(C)=CC(N)CC(C)(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine?
The InChIKey is OFTRURJOELHVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11(2)9-14(20)10-15(3,4)12-5-7-13(8-6-12)16(17,18)19/h5-9,14H,10,20H2,1-4H3.
What are the key properties of 2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine?
2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine has a molecular weight of 285.35 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-amine is sourced from PubChem (CID 155617385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).