(1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline

C14H21NO — CID 138040626

IUPAC(1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCCOc1ccc2c(c1)C[C@H](C)N[C@@H]2C
InChIInChI=1S/C14H21NO/c1-4-7-16-13-5-6-14-11(3)15-10(2)8-12(14)9-13/h5-6,9-11,15H,4,7-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyLSCPXXITGHPXSH-WDEREUQCSA-N
MW219.33 g/mol
LogP3.07
Rot. Bonds3

About (1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline

(1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 138040626) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID138040626
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCCOc1ccc2c(c1)C[C@H](C)N[C@@H]2C
InChIInChI=1S/C14H21NO/c1-4-7-16-13-5-6-14-11(3)15-10(2)8-12(14)9-13/h5-6,9-11,15H,4,7-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyLSCPXXITGHPXSH-WDEREUQCSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline
CID 62496450
4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one
CID 158325360
3-methyl-6-propoxy-2,3-dihydroinden-1-one
CID 63820814
3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol
CID 63820639
4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 64688394
(7R,8R,9S,13S)-7-ethyl-13,15-dimethyl-3-propoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 143197118
5-ethoxy-2-methyl-2,3-dihydro-1H-indole
CID 21441430
ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 144986736
5-propoxy-2,3-dihydroisoindol-1-one
CID 158874479
6-propoxy-1H-indene
CID 19751756
1-methoxy-7-propoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 123455144
(2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 129390519

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline (CID 138040626) is (1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline is CCCOc1ccc2c(c1)C[C@H](C)N[C@@H]2C.
What is the InChIKey of (1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LSCPXXITGHPXSH-WDEREUQCSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-7-16-13-5-6-14-11(3)15-10(2)8-12(14)9-13/h5-6,9-11,15H,4,7-8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline?
(1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 219.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 138040626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).