N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine

C19H20N2 — CID 115748187

IUPACN-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine
SMILESCC(CNCc1cncc2ccccc12)c1ccccc1
InChIInChI=1S/C19H20N2/c1-15(16-7-3-2-4-8-16)11-20-13-18-14-21-12-17-9-5-6-10-19(17)18/h2-10,12,14-15,20H,11,13H2,1H3
InChIKeyXOJWFZHGRUAAQQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.13
Rot. Bonds5

About N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine

N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine (PubChem CID 115748187) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine
PubChem CID115748187
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine
SMILESCC(CNCc1cncc2ccccc12)c1ccccc1
InChIInChI=1S/C19H20N2/c1-15(16-7-3-2-4-8-16)11-20-13-18-14-21-12-17-9-5-6-10-19(17)18/h2-10,12,14-15,20H,11,13H2,1H3
InChIKeyXOJWFZHGRUAAQQ-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 103823450
N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine
CID 115748477
1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103823588
(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
CID 104503981
2-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 43182084
(1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 104503955
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
3-fluoro-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748569
3-(isoquinolin-4-ylmethylamino)propanoic acid
CID 104503840
2-(isoquinolin-5-ylmethylamino)-1-phenylethanol
CID 62823894
4-[(isoquinolin-4-ylmethylamino)methyl]phenol
CID 115748371
1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 115748158

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine?
The IUPAC name of N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine (CID 115748187) is N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine.
What is the SMILES notation for N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine?
The canonical SMILES for N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine is CC(CNCc1cncc2ccccc12)c1ccccc1.
What is the InChIKey of N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine?
The InChIKey is XOJWFZHGRUAAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-15(16-7-3-2-4-8-16)11-20-13-18-14-21-12-17-9-5-6-10-19(17)18/h2-10,12,14-15,20H,11,13H2,1H3.
What are the key properties of N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine?
N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 115748187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).