N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine

C22H26F3N — CID 18333856

IUPACN-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
SMILESC=C(CN(Cc1ccc(C(C)(C)C)cc1)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C22H26F3N/c1-17(19-8-6-5-7-9-19)14-26(16-22(23,24)25)15-18-10-12-20(13-11-18)21(2,3)4/h5-13H,1,14-16H2,2-4H3
InChIKeyPHOBRHVKXANAHJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP6.06
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine

N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine (PubChem CID 18333856) has the molecular formula C22H26F3N and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
PubChem CID18333856
Molecular FormulaC22H26F3N
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
SMILESC=C(CN(Cc1ccc(C(C)(C)C)cc1)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C22H26F3N/c1-17(19-8-6-5-7-9-19)14-26(16-22(23,24)25)15-18-10-12-20(13-11-18)21(2,3)4/h5-13H,1,14-16H2,2-4H3
InChIKeyPHOBRHVKXANAHJ-UHFFFAOYSA-N
XLogP6.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine (CID 18333856) is N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine is C=C(CN(Cc1ccc(C(C)(C)C)cc1)CC(F)(F)F)c1ccccc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The InChIKey is PHOBRHVKXANAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N/c1-17(19-8-6-5-7-9-19)14-26(16-22(23,24)25)15-18-10-12-20(13-11-18)21(2,3)4/h5-13H,1,14-16H2,2-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine has a molecular weight of 361.45 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine is sourced from PubChem (CID 18333856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).