1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine

C22H25NO — CID 19003143

IUPAC1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine
SMILESCc1cc(C)cc(COCC(N)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C22H25NO/c1-16-9-17(2)11-19(10-16)14-24-15-22(23)13-18-7-8-20-5-3-4-6-21(20)12-18/h3-12,22H,13-15,23H2,1-2H3
InChIKeyAMYNKJAEPXTVQR-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.54
Rot. Bonds6

About 1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine

1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine (PubChem CID 19003143) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine
PubChem CID19003143
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine
SMILESCc1cc(C)cc(COCC(N)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C22H25NO/c1-16-9-17(2)11-19(10-16)14-24-15-22(23)13-18-7-8-20-5-3-4-6-21(20)12-18/h3-12,22H,13-15,23H2,1-2H3
InChIKeyAMYNKJAEPXTVQR-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine (CID 19003143) is 1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine is Cc1cc(C)cc(COCC(N)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine?
The InChIKey is AMYNKJAEPXTVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-16-9-17(2)11-19(10-16)14-24-15-22(23)13-18-7-8-20-5-3-4-6-21(20)12-18/h3-12,22H,13-15,23H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine?
1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine has a molecular weight of 319.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine is sourced from PubChem (CID 19003143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).