(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

C20H19N — CID 129384739

IUPAC(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2[C@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C20H19N/c1-21-13-18-8-4-5-9-19(18)20(14-21)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,20H,13-14H2,1H3/t20-/m0/s1
InChIKeyVKFUPJSKOSFXMT-FQEVSTJZSA-N
MW273.38 g/mol
LogP4.42
Rot. Bonds1

About (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 129384739) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID129384739
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2[C@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C20H19N/c1-21-13-18-8-4-5-9-19(18)20(14-21)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,20H,13-14H2,1H3/t20-/m0/s1
InChIKeyVKFUPJSKOSFXMT-FQEVSTJZSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (CID 129384739) is (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2[C@H](c2ccc3ccccc3c2)C1.
What is the InChIKey of (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is VKFUPJSKOSFXMT-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19N/c1-21-13-18-8-4-5-9-19(18)20(14-21)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,20H,13-14H2,1H3/t20-/m0/s1.
What are the key properties of (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 273.38 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 129384739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).