1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride

C14H24ClNO2 — CID 90668696

IUPAC1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride
SMILESCOCC(COc1cccc(C)c1)NC(C)C.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-11(2)15-13(9-16-4)10-17-14-7-5-6-12(3)8-14;/h5-8,11,13,15H,9-10H2,1-4H3;1H
InChIKeyQKLNVYODEXBBER-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.81
Rot. Bonds7

About 1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride

1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride (PubChem CID 90668696) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is 1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride
PubChem CID90668696
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride
SMILESCOCC(COc1cccc(C)c1)NC(C)C.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-11(2)15-13(9-16-4)10-17-14-7-5-6-12(3)8-14;/h5-8,11,13,15H,9-10H2,1-4H3;1H
InChIKeyQKLNVYODEXBBER-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride?
The IUPAC name of 1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride (CID 90668696) is 1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride is COCC(COc1cccc(C)c1)NC(C)C.Cl.
What is the InChIKey of 1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride?
The InChIKey is QKLNVYODEXBBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c1-11(2)15-13(9-16-4)10-17-14-7-5-6-12(3)8-14;/h5-8,11,13,15H,9-10H2,1-4H3;1H.
What are the key properties of 1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride?
1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride has a molecular weight of 273.80 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-2-amine;hydrochloride is sourced from PubChem (CID 90668696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).