2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine

C19H25NO — CID 43098227

IUPAC2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine
SMILESCc1cccc(OC(C(C)C)C(N)c2ccccc2)c1C
InChIInChI=1S/C19H25NO/c1-13(2)19(18(20)16-10-6-5-7-11-16)21-17-12-8-9-14(3)15(17)4/h5-13,18-19H,20H2,1-4H3
InChIKeyJAVRSKNTPLLDFA-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.41
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine

2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine (PubChem CID 43098227) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine
PubChem CID43098227
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine
SMILESCc1cccc(OC(C(C)C)C(N)c2ccccc2)c1C
InChIInChI=1S/C19H25NO/c1-13(2)19(18(20)16-10-6-5-7-11-16)21-17-12-8-9-14(3)15(17)4/h5-13,18-19H,20H2,1-4H3
InChIKeyJAVRSKNTPLLDFA-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine (CID 43098227) is 2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine is Cc1cccc(OC(C(C)C)C(N)c2ccccc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine?
The InChIKey is JAVRSKNTPLLDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13(2)19(18(20)16-10-6-5-7-11-16)21-17-12-8-9-14(3)15(17)4/h5-13,18-19H,20H2,1-4H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine?
2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 43098227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).