(1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline

C17H19N — CID 101228506

IUPAC(1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)N1
InChIInChI=1S/C17H19N/c1-2-15-12-14-10-6-7-11-16(14)17(18-15)13-8-4-3-5-9-13/h3-11,15,17-18H,2,12H2,1H3/t15-,17-/m1/s1
InChIKeyKTALVNBWGJLNCE-NVXWUHKLSA-N
MW237.35 g/mol
LogP3.70
Rot. Bonds2

About (1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline

(1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 101228506) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID101228506
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)N1
InChIInChI=1S/C17H19N/c1-2-15-12-14-10-6-7-11-16(14)17(18-15)13-8-4-3-5-9-13/h3-11,15,17-18H,2,12H2,1H3/t15-,17-/m1/s1
InChIKeyKTALVNBWGJLNCE-NVXWUHKLSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 123461490
(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 101228516
3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83970505
3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine
CID 43174689
5-ethyl-3-phenylpiperazin-2-one
CID 82396570
3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 83970537
(2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine
CID 102016733
(1S,2S)-1-ethyl-2,3-dihydro-1H-inden-2-ol
CID 130811012
(3S)-3-ethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 92977970
3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 83970735
3-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 68765207
3-ethyl-1-methyl-5-phenylpiperazine
CID 82396475

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 101228506) is (1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline is CC[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)N1.
What is the InChIKey of (1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is KTALVNBWGJLNCE-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H19N/c1-2-15-12-14-10-6-7-11-16(14)17(18-15)13-8-4-3-5-9-13/h3-11,15,17-18H,2,12H2,1H3/t15-,17-/m1/s1.
What are the key properties of (1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
(1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 237.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 101228506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).