1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine

C19H25NO — CID 106679845

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C19H25NO/c1-5-11-19(20,16-9-7-6-8-10-16)18-15(3)12-14(2)13-17(18)21-4/h6-10,12-13H,5,11,20H2,1-4H3
InChIKeyNQGASJQEHACJDJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.31
Rot. Bonds5

About 1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine

1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine (PubChem CID 106679845) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine
PubChem CID106679845
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C19H25NO/c1-5-11-19(20,16-9-7-6-8-10-16)18-15(3)12-14(2)13-17(18)21-4/h6-10,12-13H,5,11,20H2,1-4H3
InChIKeyNQGASJQEHACJDJ-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine (CID 106679845) is 1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine is CCCC(N)(c1ccccc1)c1c(C)cc(C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine?
The InChIKey is NQGASJQEHACJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-11-19(20,16-9-7-6-8-10-16)18-15(3)12-14(2)13-17(18)21-4/h6-10,12-13H,5,11,20H2,1-4H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine?
1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 106679845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).