(2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride

C14H24ClNO2 — CID 164625864

IUPAC(2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
SMILESCOCCN[C@H](C)COc1cccc(C)c1C.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-11-6-5-7-14(13(11)3)17-10-12(2)15-8-9-16-4;/h5-7,12,15H,8-10H2,1-4H3;1H/t12-;/m1./s1
InChIKeyVAABGQMDBRRPLZ-UTONKHPSSA-N
MW273.80 g/mol
LogP2.73
Rot. Bonds7

About (2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride

(2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride (PubChem CID 164625864) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is (2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
PubChem CID164625864
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name(2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
SMILESCOCCN[C@H](C)COc1cccc(C)c1C.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-11-6-5-7-14(13(11)3)17-10-12(2)15-8-9-16-4;/h5-7,12,15H,8-10H2,1-4H3;1H/t12-;/m1./s1
InChIKeyVAABGQMDBRRPLZ-UTONKHPSSA-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

1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
CID 164623376
1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine
CID 60688548
1-(2,2-dimethoxyethoxy)-2,3-dimethylbenzene
CID 4198790
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
3-(2,3-dimethylphenoxy)-2-methylpropanenitrile
CID 43367428
1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine
CID 62042546
2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132651176
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride
CID 164625435

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride?
The IUPAC name of (2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride (CID 164625864) is (2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride is COCCN[C@H](C)COc1cccc(C)c1C.Cl.
What is the InChIKey of (2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride?
The InChIKey is VAABGQMDBRRPLZ-UTONKHPSSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c1-11-6-5-7-14(13(11)3)17-10-12(2)15-8-9-16-4;/h5-7,12,15H,8-10H2,1-4H3;1H/t12-;/m1./s1.
What are the key properties of (2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride?
(2R)-1-(2,3-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 (2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 164625864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).