N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride

C16H22ClF3N2O3 — CID 119565633

IUPACN-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
SMILESCl.NCC1(NC(=O)COc2ccccc2OCC(F)(F)F)CCCC1
InChIInChI=1S/C16H21F3N2O3.ClH/c17-16(18,19)11-24-13-6-2-1-5-12(13)23-9-14(22)21-15(10-20)7-3-4-8-15;/h1-2,5-6H,3-4,7-11,20H2,(H,21,22);1H
InChIKeyMCJVLJKTEKVIPH-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.82
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride (PubChem CID 119565633) has the molecular formula C16H22ClF3N2O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
PubChem CID119565633
Molecular FormulaC16H22ClF3N2O3
Molecular Weight382.81 g/mol
Exact Mass382.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
SMILESCl.NCC1(NC(=O)COc2ccccc2OCC(F)(F)F)CCCC1
InChIInChI=1S/C16H21F3N2O3.ClH/c17-16(18,19)11-24-13-6-2-1-5-12(13)23-9-14(22)21-15(10-20)7-3-4-8-15;/h1-2,5-6H,3-4,7-11,20H2,(H,21,22);1H
InChIKeyMCJVLJKTEKVIPH-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 119565474
N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119567384
N-[1-(aminomethyl)cyclohexyl]-2-phenoxyacetamide
CID 63755837
N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119382771
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119564877
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561
N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119567396
N-[1-(hydroxymethyl)cyclobutyl]-2-(2-methoxyphenoxy)acetamide
CID 115878022
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
CID 119565773
N-[1-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119567192
N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119565936
N-[1-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119567203

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride (CID 119565633) is N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride is Cl.NCC1(NC(=O)COc2ccccc2OCC(F)(F)F)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The InChIKey is MCJVLJKTEKVIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3.ClH/c17-16(18,19)11-24-13-6-2-1-5-12(13)23-9-14(22)21-15(10-20)7-3-4-8-15;/h1-2,5-6H,3-4,7-11,20H2,(H,21,22);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride has a molecular weight of 382.81 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119565633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).