N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine

C26H32F3NO — CID 141074547

IUPACN-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCCCCCCCC#Cc1ccc(CONC(C)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H32F3NO/c1-3-4-5-6-7-8-9-10-11-22-12-14-23(15-13-22)20-31-30-21(2)24-16-18-25(19-17-24)26(27,28)29/h12-19,21,30H,3-9,20H2,1-2H3
InChIKeyHYGHCJOVTNAKBF-UHFFFAOYSA-N
MW431.54 g/mol
LogP7.59
Rot. Bonds11

About N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine

N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 141074547) has the molecular formula C26H32F3NO and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID141074547
Molecular FormulaC26H32F3NO
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC NameN-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCCCCCCCC#Cc1ccc(CONC(C)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H32F3NO/c1-3-4-5-6-7-8-9-10-11-22-12-14-23(15-13-22)20-31-30-21(2)24-16-18-25(19-17-24)26(27,28)29/h12-19,21,30H,3-9,20H2,1-2H3
InChIKeyHYGHCJOVTNAKBF-UHFFFAOYSA-N
XLogP7.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine with MolForge

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Related Compounds

2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
CID 15261432
1-phenyl-N-(1-phenylethoxy)pentan-1-amine
CID 15261429
2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
CID 15261430
1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine
CID 15261431
N-Benzoxybenzhydrylamine
CID 15025165
N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 54230124
[4-[[Tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine
CID 66873509
1-Phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 69267757
N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]propan-1-amine
CID 88229522
N-[[4-[1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxyamino]ethyl]phenyl]methyl]propan-1-amine
CID 134186954
N-[(4-dec-1-ynylphenyl)methoxy]-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 141074424
N-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methoxy]-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 141168379

Frequently Asked Questions

What is the IUPAC name of N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 141074547) is N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine is CCCCCCCCC#Cc1ccc(CONC(C)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is HYGHCJOVTNAKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3NO/c1-3-4-5-6-7-8-9-10-11-22-12-14-23(15-13-22)20-31-30-21(2)24-16-18-25(19-17-24)26(27,28)29/h12-19,21,30H,3-9,20H2,1-2H3.
What are the key properties of N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 431.54 g/mol, XLogP of 7.59, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-dec-1-ynylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 141074547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).