[1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride

C15H24ClNO3 — CID 3031007

IUPAC[1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride
SMILESCC(=O)OC(O)CCN(C)CC(C)c1ccccc1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-12(14-7-5-4-6-8-14)11-16(3)10-9-15(18)19-13(2)17;/h4-8,12,15,18H,9-11H2,1-3H3;1H
InChIKeyIBDPDFWNHUPXPG-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.42
Rot. Bonds7

About [1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride

[1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride (PubChem CID 3031007) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is [1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride.

Molecular Properties

Compound Name[1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride
PubChem CID3031007
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name[1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride
SMILESCC(=O)OC(O)CCN(C)CC(C)c1ccccc1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-12(14-7-5-4-6-8-14)11-16(3)10-9-15(18)19-13(2)17;/h4-8,12,15,18H,9-11H2,1-3H3;1H
InChIKeyIBDPDFWNHUPXPG-UHFFFAOYSA-N
XLogP2.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(2-phenylpropyl)amino]ethyl acetate
CID 24838009
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
[1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate
CID 3028283
1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol
CID 95626159
(2S)-1-ethoxy-3-[methyl-[(2R)-2-phenylpropyl]amino]propan-2-ol
CID 98764184
[(3R)-3-phenylbutyl] acetate
CID 12598598
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
[(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate
CID 14059972
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
[(2S)-2-phenylpropyl] acetate
CID 10261650

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride?
The IUPAC name of [1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride (CID 3031007) is [1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride.
What is the SMILES notation for [1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride?
The canonical SMILES for [1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride is CC(=O)OC(O)CCN(C)CC(C)c1ccccc1.Cl.
What is the InChIKey of [1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride?
The InChIKey is IBDPDFWNHUPXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.ClH/c1-12(14-7-5-4-6-8-14)11-16(3)10-9-15(18)19-13(2)17;/h4-8,12,15,18H,9-11H2,1-3H3;1H.
What are the key properties of [1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride?
[1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride has a molecular weight of 301.81 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride is sourced from PubChem (CID 3031007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).