4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol

C17H23NO2 — CID 46230971

IUPAC4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol
SMILESCOc1ccc2cc(C(C)(O)CCN(C)C)ccc2c1
InChIInChI=1S/C17H23NO2/c1-17(19,9-10-18(2)3)15-7-5-14-12-16(20-4)8-6-13(14)11-15/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyPOONFQAWROMMSW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.01
Rot. Bonds5

About 4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol

4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol (PubChem CID 46230971) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol
PubChem CID46230971
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol
SMILESCOc1ccc2cc(C(C)(O)CCN(C)C)ccc2c1
InChIInChI=1S/C17H23NO2/c1-17(19,9-10-18(2)3)15-7-5-14-12-16(20-4)8-6-13(14)11-15/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyPOONFQAWROMMSW-UHFFFAOYSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol?
The IUPAC name of 4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol (CID 46230971) is 4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol.
What is the SMILES notation for 4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol?
The canonical SMILES for 4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol is COc1ccc2cc(C(C)(O)CCN(C)C)ccc2c1.
What is the InChIKey of 4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol?
The InChIKey is POONFQAWROMMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(19,9-10-18(2)3)15-7-5-14-12-16(20-4)8-6-13(14)11-15/h5-8,11-12,19H,9-10H2,1-4H3.
What are the key properties of 4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol?
4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)butan-2-ol is sourced from PubChem (CID 46230971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).