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

C11H17NO — CID 4178

💊View drug profile → mexiletine
IUPAC1-(2,6-dimethylphenoxy)propan-2-amine
SMILESCc1cccc(C)c1OCC(C)N
InChIInChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
InChIKeyVLPIATFUUWWMKC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.03
Rot. Bonds3

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

1-(2,6-dimethylphenoxy)propan-2-amine (PubChem CID 4178) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)propan-2-amine
PubChem CID4178
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(2,6-dimethylphenoxy)propan-2-amine
SMILESCc1cccc(C)c1OCC(C)N
InChIInChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
InChIKeyVLPIATFUUWWMKC-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mexiletine Hydrochloride
CID 21467
(2R)-1-(2,6-dimethylphenoxy)propan-2-amine
CID 180621
N,N-Didesmethyl Tamoxifen
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5-Apdb
CID 192601
4-Ethoxy-alpha-methylbenzeneethanamine
CID 125379
1-Phenoxy-2-propanamine
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1-Butanamine, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
CID 104033
(S)-Mexiletine
CID 185376
N-(1-Methylethyl)-3-[(3-Prop-2-En-1-Ylbiphenyl-4-Yl)oxy]propan-1-Amine
CID 10591006
2-(4-Benzylphenoxy)ethanamine
CID 10609349
2-Methoxyamphetamine
CID 159755
2-(2-Phenylphenoxy)ethan-1-amine hydrochloride
CID 2876913

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)propan-2-amine?
The IUPAC name of 1-(2,6-dimethylphenoxy)propan-2-amine (CID 4178) is 1-(2,6-dimethylphenoxy)propan-2-amine.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)propan-2-amine?
The canonical SMILES for 1-(2,6-dimethylphenoxy)propan-2-amine is Cc1cccc(C)c1OCC(C)N.
What is the InChIKey of 1-(2,6-dimethylphenoxy)propan-2-amine?
The InChIKey is VLPIATFUUWWMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenoxy)propan-2-amine?
1-(2,6-dimethylphenoxy)propan-2-amine has a molecular weight of 179.26 g/mol, XLogP of 2.03, 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 is sourced from PubChem (CID 4178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).