1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride

C14H24ClNO2 — CID 164623376

IUPAC1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
SMILESCOCCNC(C)COc1c(C)cccc1C.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-11-6-5-7-12(2)14(11)17-10-13(3)15-8-9-16-4;/h5-7,13,15H,8-10H2,1-4H3;1H
InChIKeyBQFFNOYTWJWSJR-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.73
Rot. Bonds7

About 1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride

1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride (PubChem CID 164623376) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
PubChem CID164623376
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
SMILESCOCCNC(C)COc1c(C)cccc1C.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-11-6-5-7-12(2)14(11)17-10-13(3)15-8-9-16-4;/h5-7,13,15H,8-10H2,1-4H3;1H
InChIKeyBQFFNOYTWJWSJR-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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

(2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
CID 164625864
1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine
CID 60688548
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215
(2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine
CID 29185170
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
1-(2,6-dimethylphenoxy)-N-(methyldisulfanyl)propan-2-amine
CID 123873902
4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol
CID 154293531
1-(2,6-dimethylphenoxy)-3-(4-methoxybutylamino)propan-2-ol
CID 60969294
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride (CID 164623376) is 1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride is COCCNC(C)COc1c(C)cccc1C.Cl.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride?
The InChIKey is BQFFNOYTWJWSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c1-11-6-5-7-12(2)14(11)17-10-13(3)15-8-9-16-4;/h5-7,13,15H,8-10H2,1-4H3;1H.
What are the key properties of 1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride?
1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride has a molecular weight of 273.80 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 164623376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).