8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline

C19H21NO — CID 114522671

IUPAC8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESc1cc(Cc2cccc3c2NCCC3)cc(OC2CC2)c1
InChIInChI=1S/C19H21NO/c1-4-14(13-18(8-1)21-17-9-10-17)12-16-6-2-5-15-7-3-11-20-19(15)16/h1-2,4-6,8,13,17,20H,3,7,9-12H2
InChIKeyBMOWQWYORHRGRH-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.18
Rot. Bonds4

About 8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline

8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 114522671) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID114522671
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESc1cc(Cc2cccc3c2NCCC3)cc(OC2CC2)c1
InChIInChI=1S/C19H21NO/c1-4-14(13-18(8-1)21-17-9-10-17)12-16-6-2-5-15-7-3-11-20-19(15)16/h1-2,4-6,8,13,17,20H,3,7,9-12H2
InChIKeyBMOWQWYORHRGRH-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 114522671) is 8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline is c1cc(Cc2cccc3c2NCCC3)cc(OC2CC2)c1.
What is the InChIKey of 8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is BMOWQWYORHRGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-4-14(13-18(8-1)21-17-9-10-17)12-16-6-2-5-15-7-3-11-20-19(15)16/h1-2,4-6,8,13,17,20H,3,7,9-12H2.
What are the key properties of 8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 279.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114522671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).