3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol

C15H23NO3 — CID 114358211

IUPAC3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
SMILESCOCC(N)C(CO)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H23NO3/c1-18-10-14(16)15(9-17)19-13-7-6-11-4-2-3-5-12(11)8-13/h6-8,14-15,17H,2-5,9-10,16H2,1H3
InChIKeyIKRBYGSHNIAAFN-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.28
Rot. Bonds6

About 3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol

3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol (PubChem CID 114358211) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
PubChem CID114358211
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
SMILESCOCC(N)C(CO)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H23NO3/c1-18-10-14(16)15(9-17)19-13-7-6-11-4-2-3-5-12(11)8-13/h6-8,14-15,17H,2-5,9-10,16H2,1H3
InChIKeyIKRBYGSHNIAAFN-UHFFFAOYSA-N
XLogP1.28
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Nadolol
CID 39147
Propranolol
CID 4946
Propranolol Hydrochloride
CID 62882
Dexpropranolol Hydrochloride
CID 66366
Dexpropranolol
CID 21138
Levopropranolol
CID 91536
(+-)-Desisopropylpropranolol
CID 159899
(+-)-4-Hydroxypropranolol
CID 91565
O-Demethylmetoprolol
CID 162181
5-[3-(Tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 4411
Levopropranolol hydrochloride
CID 165193
5'-Hydroxypropranolol
CID 10446087

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol (CID 114358211) is 3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol is COCC(N)C(CO)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol?
The InChIKey is IKRBYGSHNIAAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-10-14(16)15(9-17)19-13-7-6-11-4-2-3-5-12(11)8-13/h6-8,14-15,17H,2-5,9-10,16H2,1H3.
What are the key properties of 3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol?
3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol is sourced from PubChem (CID 114358211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).