8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline

C18H21NO — CID 81224952

IUPAC8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)Oc1cccc(-c2cccc3c2NCCC3)c1
InChIInChI=1S/C18H21NO/c1-13(2)20-16-9-3-7-15(12-16)17-10-4-6-14-8-5-11-19-18(14)17/h3-4,6-7,9-10,12-13,19H,5,8,11H2,1-2H3
InChIKeyRKFDLORXMKMYLH-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.50
Rot. Bonds3

About 8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline

8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81224952) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID81224952
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)Oc1cccc(-c2cccc3c2NCCC3)c1
InChIInChI=1S/C18H21NO/c1-13(2)20-16-9-3-7-15(12-16)17-10-4-6-14-8-5-11-19-18(14)17/h3-4,6-7,9-10,12-13,19H,5,8,11H2,1-2H3
InChIKeyRKFDLORXMKMYLH-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline (CID 81224952) is 8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline is CC(C)Oc1cccc(-c2cccc3c2NCCC3)c1.
What is the InChIKey of 8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is RKFDLORXMKMYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(2)20-16-9-3-7-15(12-16)17-10-4-6-14-8-5-11-19-18(14)17/h3-4,6-7,9-10,12-13,19H,5,8,11H2,1-2H3.
What are the key properties of 8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline?
8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 267.37 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81224952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).