(1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline

C16H23NO — CID 59396580

IUPAC(1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOC1CCCCC1[C@H]1NCCc2ccccc21
InChIInChI=1S/C16H23NO/c1-18-15-9-5-4-8-14(15)16-13-7-3-2-6-12(13)10-11-17-16/h2-3,6-7,14-17H,4-5,8-11H2,1H3/t14?,15?,16-/m0/s1
InChIKeyRQPOBKTYCGFBNB-GPANFISMSA-N
MW245.37 g/mol
LogP3.08
Rot. Bonds2

About (1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline

(1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 59396580) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID59396580
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOC1CCCCC1[C@H]1NCCc2ccccc21
InChIInChI=1S/C16H23NO/c1-18-15-9-5-4-8-14(15)16-13-7-3-2-6-12(13)10-11-17-16/h2-3,6-7,14-17H,4-5,8-11H2,1H3/t14?,15?,16-/m0/s1
InChIKeyRQPOBKTYCGFBNB-GPANFISMSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline (CID 59396580) is (1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline is COC1CCCCC1[C@H]1NCCc2ccccc21.
What is the InChIKey of (1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RQPOBKTYCGFBNB-GPANFISMSA-N. The full InChI is InChI=1S/C16H23NO/c1-18-15-9-5-4-8-14(15)16-13-7-3-2-6-12(13)10-11-17-16/h2-3,6-7,14-17H,4-5,8-11H2,1H3/t14?,15?,16-/m0/s1.
What are the key properties of (1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
(1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 245.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxycyclohexyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 59396580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).