N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride

C11H14ClF3N2O2 — CID 156792793

IUPACN-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.NCc1ccc(OCCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)10(17)16-5-6-18-9-3-1-8(7-15)2-4-9;/h1-4H,5-7,15H2,(H,16,17);1H
InChIKeyLDHBUXXGJHECPQ-UHFFFAOYSA-N
MW298.69 g/mol
LogP1.62
Rot. Bonds5

About N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride

N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride (PubChem CID 156792793) has the molecular formula C11H14ClF3N2O2 and a molecular weight of 298.69 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride
PubChem CID156792793
Molecular FormulaC11H14ClF3N2O2
Molecular Weight298.69 g/mol
Exact Mass298.07
IUPAC NameN-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.NCc1ccc(OCCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)10(17)16-5-6-18-9-3-1-8(7-15)2-4-9;/h1-4H,5-7,15H2,(H,16,17);1H
InChIKeyLDHBUXXGJHECPQ-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
4-(aminomethyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 82097400
3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296668
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 22906098
4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride
CID 119345843
5-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]pent-4-ynamide
CID 87082388
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
1-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296688
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
CID 108934823
2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 2063074
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride?
The IUPAC name of N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride (CID 156792793) is N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride?
The canonical SMILES for N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride is Cl.NCc1ccc(OCCNC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride?
The InChIKey is LDHBUXXGJHECPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)10(17)16-5-6-18-9-3-1-8(7-15)2-4-9;/h1-4H,5-7,15H2,(H,16,17);1H.
What are the key properties of N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride?
N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride has a molecular weight of 298.69 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride is sourced from PubChem (CID 156792793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).