N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride

C15H22Cl2N2O2 — CID 119600494

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
SMILESCc1cc(Cl)ccc1OCC(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-10-7-12(16)5-6-14(10)20-9-15(19)18-13-4-2-3-11(13)8-17;/h5-7,11,13H,2-4,8-9,17H2,1H3,(H,18,19);1H
InChIKeyVYJDIROILPJUTD-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride (PubChem CID 119600494) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
PubChem CID119600494
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
SMILESCc1cc(Cl)ccc1OCC(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-10-7-12(16)5-6-14(10)20-9-15(19)18-13-4-2-3-11(13)8-17;/h5-7,11,13H,2-4,8-9,17H2,1H3,(H,18,19);1H
InChIKeyVYJDIROILPJUTD-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dichlorophenoxy)acetamide;hydrochloride
CID 119600602
N-[2-(aminomethyl)cyclopentyl]-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119603021
N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
CID 119603633
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119600550
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide
CID 119611347
2-(2,4-dichlorophenoxy)-N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]acetamide
CID 133134780
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)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119601445
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 119601328
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride (CID 119600494) is N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride is Cc1cc(Cl)ccc1OCC(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride?
The InChIKey is VYJDIROILPJUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-10-7-12(16)5-6-14(10)20-9-15(19)18-13-4-2-3-11(13)8-17;/h5-7,11,13H,2-4,8-9,17H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119600494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).