3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol

C15H23NO — CID 21316449

IUPAC3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCN(C)CCCC1Cc2ccccc2CC1O
InChIInChI=1S/C15H23NO/c1-16(2)9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)17/h3-4,6-7,14-15,17H,5,8-11H2,1-2H3
InChIKeyCTFHSKMIWUVFHT-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.10
Rot. Bonds4

About 3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol

3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 21316449) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID21316449
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCN(C)CCCC1Cc2ccccc2CC1O
InChIInChI=1S/C15H23NO/c1-16(2)9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)17/h3-4,6-7,14-15,17H,5,8-11H2,1-2H3
InChIKeyCTFHSKMIWUVFHT-UHFFFAOYSA-N
XLogP2.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 21316449) is 3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol is CN(C)CCCC1Cc2ccccc2CC1O.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is CTFHSKMIWUVFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16(2)9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)17/h3-4,6-7,14-15,17H,5,8-11H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 21316449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).