N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride

C16H22ClF3N2O3 — CID 119601561

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)COc1ccccc1OCC(F)(F)F
InChIInChI=1S/C16H21F3N2O3.ClH/c17-16(18,19)10-24-14-7-2-1-6-13(14)23-9-15(22)21-12-5-3-4-11(12)8-20;/h1-2,6-7,11-12H,3-5,8-10,20H2,(H,21,22);1H
InChIKeyRQQYRLBLJPHKMN-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.67
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride (PubChem CID 119601561) has the molecular formula C16H22ClF3N2O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
PubChem CID119601561
Molecular FormulaC16H22ClF3N2O3
Molecular Weight382.81 g/mol
Exact Mass382.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)COc1ccccc1OCC(F)(F)F
InChIInChI=1S/C16H21F3N2O3.ClH/c17-16(18,19)10-24-14-7-2-1-6-13(14)23-9-15(22)21-12-5-3-4-11(12)8-20;/h1-2,6-7,11-12H,3-5,8-10,20H2,(H,21,22);1H
InChIKeyRQQYRLBLJPHKMN-UHFFFAOYSA-N
XLogP2.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119603021
N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119612068
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-[2-(aminomethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807208
N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119603865
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
CID 119605033
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-difluorophenoxy)acetamide
CID 119610188
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 119611391
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dichlorophenoxy)acetamide;hydrochloride
CID 119600602
N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride
CID 119603939
N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
CID 119603633
N-[2-(aminomethyl)cyclopentyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
CID 119600796

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride (CID 119601561) is N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride is Cl.NCC1CCCC1NC(=O)COc1ccccc1OCC(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The InChIKey is RQQYRLBLJPHKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3.ClH/c17-16(18,19)10-24-14-7-2-1-6-13(14)23-9-15(22)21-12-5-3-4-11(12)8-20;/h1-2,6-7,11-12H,3-5,8-10,20H2,(H,21,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride has a molecular weight of 382.81 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119601561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).