7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C16H25NO2 — CID 91363725

IUPAC7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(C(C)CO)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C16H25NO2/c1-3-8-17(12(2)11-18)15-6-4-13-5-7-16(19)10-14(13)9-15/h5,7,10,12,15,18-19H,3-4,6,8-9,11H2,1-2H3
InChIKeyZJOMTDBLIFHYHJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.34
Rot. Bonds5

About 7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 91363725) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID91363725
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(C(C)CO)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C16H25NO2/c1-3-8-17(12(2)11-18)15-6-4-13-5-7-16(19)10-14(13)9-15/h5,7,10,12,15,18-19H,3-4,6,8-9,11H2,1-2H3
InChIKeyZJOMTDBLIFHYHJ-UHFFFAOYSA-N
XLogP2.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 91363725) is 7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(C(C)CO)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is ZJOMTDBLIFHYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-8-17(12(2)11-18)15-6-4-13-5-7-16(19)10-14(13)9-15/h5,7,10,12,15,18-19H,3-4,6,8-9,11H2,1-2H3.
What are the key properties of 7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 91363725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).