(1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline

C18H21N — CID 11459393

IUPAC(1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline
SMILESC[C@@H]1c2ccccc2[C@](C)(c2ccccc2)CN1C
InChIInChI=1S/C18H21N/c1-14-16-11-7-8-12-17(16)18(2,13-19(14)3)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3/t14-,18+/m1/s1
InChIKeyREOVCYGVDFWMKV-KDOFPFPSSA-N
MW251.37 g/mol
LogP4.00
Rot. Bonds1

About (1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline

(1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline (PubChem CID 11459393) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Name(1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline
PubChem CID11459393
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline
SMILESC[C@@H]1c2ccccc2[C@](C)(c2ccccc2)CN1C
InChIInChI=1S/C18H21N/c1-14-16-11-7-8-12-17(16)18(2,13-19(14)3)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3/t14-,18+/m1/s1
InChIKeyREOVCYGVDFWMKV-KDOFPFPSSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 64862132
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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline?
The IUPAC name of (1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline (CID 11459393) is (1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline.
What is the SMILES notation for (1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline?
The canonical SMILES for (1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline is C[C@@H]1c2ccccc2[C@](C)(c2ccccc2)CN1C.
What is the InChIKey of (1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline?
The InChIKey is REOVCYGVDFWMKV-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H21N/c1-14-16-11-7-8-12-17(16)18(2,13-19(14)3)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3/t14-,18+/m1/s1.
What are the key properties of (1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline?
(1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline is sourced from PubChem (CID 11459393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).