(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine

C16H18N2 — CID 12884652

IUPAC(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1Cc2c(N)cccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m1/s1
InChIKeyXXPANQJNYNUNES-CQSZACIVSA-N
MW238.33 g/mol
LogP2.85
Rot. Bonds1

About (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine

(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 12884652) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID12884652
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1Cc2c(N)cccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m1/s1
InChIKeyXXPANQJNYNUNES-CQSZACIVSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine (CID 12884652) is (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine is CN1Cc2c(N)cccc2[C@@H](c2ccccc2)C1.
What is the InChIKey of (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is XXPANQJNYNUNES-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 238.33 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 12884652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).