(1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine

C19H20N2 — CID 104503955

IUPAC(1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](C)NCc2cncc3ccccc23)cc1
InChIInChI=1S/C19H20N2/c1-14-7-9-16(10-8-14)15(2)21-13-18-12-20-11-17-5-3-4-6-19(17)18/h3-12,15,21H,13H2,1-2H3/t15-/m1/s1
InChIKeyQESDTRCQBQDFNF-OAHLLOKOSA-N
MW276.38 g/mol
LogP4.39
Rot. Bonds4

About (1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine

(1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine (PubChem CID 104503955) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine
PubChem CID104503955
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name(1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](C)NCc2cncc3ccccc23)cc1
InChIInChI=1S/C19H20N2/c1-14-7-9-16(10-8-14)15(2)21-13-18-12-20-11-17-5-3-4-6-19(17)18/h3-12,15,21H,13H2,1-2H3/t15-/m1/s1
InChIKeyQESDTRCQBQDFNF-OAHLLOKOSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
CID 104503981
N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115908048
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384
N-(isoquinolin-4-ylmethyl)pent-4-en-2-amine
CID 115748456
(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81357004
N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine
CID 115748187
N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 106209528
N-(isoquinolin-4-ylmethyl)-4-methylsulfinylbutan-2-amine
CID 115748527
(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355702
N-(isoquinolin-4-ylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 103934047

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine (CID 104503955) is (1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine is Cc1ccc([C@@H](C)NCc2cncc3ccccc23)cc1.
What is the InChIKey of (1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine?
The InChIKey is QESDTRCQBQDFNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N2/c1-14-7-9-16(10-8-14)15(2)21-13-18-12-20-11-17-5-3-4-6-19(17)18/h3-12,15,21H,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine?
(1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 104503955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).