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

C11H18ClNO — CID 21467

IUPAC1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride
SMILESCc1cccc(C)c1OCC(C)N.Cl
InChIInChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H
InChIKeyNFEIBWMZVIVJLQ-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.45
Rot. Bonds3

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

1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride (PubChem CID 21467) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride
PubChem CID21467
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride
SMILESCc1cccc(C)c1OCC(C)N.Cl
InChIInChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H
InChIKeyNFEIBWMZVIVJLQ-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride?
The IUPAC name of 1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride (CID 21467) is 1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride is Cc1cccc(C)c1OCC(C)N.Cl.
What is the InChIKey of 1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride?
The InChIKey is NFEIBWMZVIVJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H.
What are the key properties of 1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride?
1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride is sourced from PubChem (CID 21467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).