3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride

C13H20Cl2N2O2 — CID 119298305

IUPAC3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)CCN.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-16(13(17)6-7-15)8-3-9-18-12-5-2-4-11(14)10-12;/h2,4-5,10H,3,6-9,15H2,1H3;1H
InChIKeyWGQIMBIFLYUIRW-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.34
Rot. Bonds7

About 3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride

3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride (PubChem CID 119298305) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
PubChem CID119298305
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC Name3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)CCN.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-16(13(17)6-7-15)8-3-9-18-12-5-2-4-11(14)10-12;/h2,4-5,10H,3,6-9,15H2,1H3;1H
InChIKeyWGQIMBIFLYUIRW-UHFFFAOYSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 55897046
N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 119739733
4-[3-(3-chlorophenoxy)propyl-methylamino]butanoic acid
CID 119134826
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119739734
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
3-(3-chlorophenoxy)propanamide
CID 23512799

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride (CID 119298305) is 3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride is CN(CCCOc1cccc(Cl)c1)C(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride?
The InChIKey is WGQIMBIFLYUIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2.ClH/c1-16(13(17)6-7-15)8-3-9-18-12-5-2-4-11(14)10-12;/h2,4-5,10H,3,6-9,15H2,1H3;1H.
What are the key properties of 3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride?
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride has a molecular weight of 307.22 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119298305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).