(Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine

C15H21F3N2O2 — CID 123290554

IUPAC(Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
SMILESCOCCC/C=C(\NOCCN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h4-8,20H,2-3,9-11,19H2,1H3/b14-4-
InChIKeyULLDORSXPWEBFG-CPSFFCFKSA-N
MW318.34 g/mol
LogP2.95
Rot. Bonds9

About (Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine

(Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine (PubChem CID 123290554) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
PubChem CID123290554
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name(Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
SMILESCOCCC/C=C(\NOCCN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h4-8,20H,2-3,9-11,19H2,1H3/b14-4-
InChIKeyULLDORSXPWEBFG-CPSFFCFKSA-N
XLogP2.95
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-azaniumylethoxy-[(1R)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentyl]azanium
CID 78225972
o-Methyl-n-(4-trifluoromethyl-benzyl)-hydroxylamine
CID 23499567
N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
CID 54359408
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56974312
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57099402
3-[(2,2-Difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine
CID 57132572
N-methoxy-1-[4-(trifluoromethyl)phenyl]ethenamine
CID 57273303
N-ethoxy-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702571
N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 82720074
1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
CID 90980629
2-bromo-N-ethoxy-1-[4-(trifluoromethyl)phenyl]ethenamine
CID 91346357
(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine
CID 123228856

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine?
The IUPAC name of (Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine (CID 123290554) is (Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine.
What is the SMILES notation for (Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine?
The canonical SMILES for (Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine is COCCC/C=C(\NOCCN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine?
The InChIKey is ULLDORSXPWEBFG-CPSFFCFKSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h4-8,20H,2-3,9-11,19H2,1H3/b14-4-.
What are the key properties of (Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine?
(Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine has a molecular weight of 318.34 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine is sourced from PubChem (CID 123290554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).