N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride

C15H25ClN2O2 — CID 119585043

IUPACN-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
SMILESCc1ccc(OCCC(=O)N(C)C(C)CN)cc1C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11-5-6-14(9-12(11)2)19-8-7-15(18)17(4)13(3)10-16;/h5-6,9,13H,7-8,10,16H2,1-4H3;1H
InChIKeyKCTNSKRQNQTIOE-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.30
Rot. Bonds6

About N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride

N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride (PubChem CID 119585043) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
PubChem CID119585043
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC NameN-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
SMILESCc1ccc(OCCC(=O)N(C)C(C)CN)cc1C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11-5-6-14(9-12(11)2)19-8-7-15(18)17(4)13(3)10-16;/h5-6,9,13H,7-8,10,16H2,1-4H3;1H
InChIKeyKCTNSKRQNQTIOE-UHFFFAOYSA-N
XLogP2.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
CID 119582539
2-[4-(3,4-dimethylphenoxy)butanoyl-methylamino]propanoic acid
CID 119358257
N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119661117
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide
CID 112548211
methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate
CID 61383505
ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate
CID 115002230
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
4-(3,4-dimethylphenoxy)butan-2-amine
CID 43118968

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride (CID 119585043) is N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride is Cc1ccc(OCCC(=O)N(C)C(C)CN)cc1C.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride?
The InChIKey is KCTNSKRQNQTIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11-5-6-14(9-12(11)2)19-8-7-15(18)17(4)13(3)10-16;/h5-6,9,13H,7-8,10,16H2,1-4H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride?
N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119585043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).