2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride

C14H22Cl2N2O2 — CID 17054022

IUPAC2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCCCCCNCc1cc(Cl)ccc1OCC(N)=O.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-2-3-4-7-17-9-11-8-12(15)5-6-13(11)19-10-14(16)18;/h5-6,8,17H,2-4,7,9-10H2,1H3,(H2,16,18);1H
InChIKeyNBPFYZBAKRFXDQ-UHFFFAOYSA-N
MW321.25 g/mol
LogP2.91
Rot. Bonds9

About 2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride

2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 17054022) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID17054022
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCCCCCNCc1cc(Cl)ccc1OCC(N)=O.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-2-3-4-7-17-9-11-8-12(15)5-6-13(11)19-10-14(16)18;/h5-6,8,17H,2-4,7,9-10H2,1H3,(H2,16,18);1H
InChIKeyNBPFYZBAKRFXDQ-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.91
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

2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053988
2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053783
2-[4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17054063
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17054047
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
CID 17291027
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716843
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17291134
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]heptan-1-amine
CID 4716941
2-[4-bromo-2-[(3-ethoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053775
2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide
CID 6471305

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride (CID 17054022) is 2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride is CCCCCNCc1cc(Cl)ccc1OCC(N)=O.Cl.
What is the InChIKey of 2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is NBPFYZBAKRFXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2.ClH/c1-2-3-4-7-17-9-11-8-12(15)5-6-13(11)19-10-14(16)18;/h5-6,8,17H,2-4,7,9-10H2,1H3,(H2,16,18);1H.
What are the key properties of 2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride?
2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 321.25 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17054022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).