2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride

C13H21ClN2O2 — CID 119298042

IUPAC2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride
SMILESCOc1ccc(CCCN(C)C(=O)CN)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-15(13(16)10-14)9-3-4-11-5-7-12(17-2)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H
InChIKeyLIKFRDLRFHSZPV-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.47
Rot. Bonds6

About 2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride

2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride (PubChem CID 119298042) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride
PubChem CID119298042
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride
SMILESCOc1ccc(CCCN(C)C(=O)CN)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-15(13(16)10-14)9-3-4-11-5-7-12(17-2)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H
InChIKeyLIKFRDLRFHSZPV-UHFFFAOYSA-N
XLogP1.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
CID 120560875
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2-amino-N-methyl-N-(4-phenylbutyl)acetamide
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CID 119739240
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
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3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
CID 19776427
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride
CID 126805410
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119739239
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
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CID 22715047

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride (CID 119298042) is 2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride is COc1ccc(CCCN(C)C(=O)CN)cc1.Cl.
What is the InChIKey of 2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride?
The InChIKey is LIKFRDLRFHSZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-15(13(16)10-14)9-3-4-11-5-7-12(17-2)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H.
What are the key properties of 2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride?
2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119298042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).