1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine

C19H20N2 — CID 103823450

IUPAC1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine
SMILESCCc1ccc(CNCc2cncc3ccccc23)cc1
InChIInChI=1S/C19H20N2/c1-2-15-7-9-16(10-8-15)11-20-13-18-14-21-12-17-5-3-4-6-19(17)18/h3-10,12,14,20H,2,11,13H2,1H3
InChIKeyMJKHFROPOSPKQG-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.09
Rot. Bonds5

About 1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine

1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine (PubChem CID 103823450) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine
PubChem CID103823450
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine
SMILESCCc1ccc(CNCc2cncc3ccccc23)cc1
InChIInChI=1S/C19H20N2/c1-2-15-7-9-16(10-8-15)11-20-13-18-14-21-12-17-5-3-4-6-19(17)18/h3-10,12,14,20H,2,11,13H2,1H3
InChIKeyMJKHFROPOSPKQG-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(isoquinolin-4-ylmethylamino)methyl]phenol
CID 115748371
1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 115748158
2-(4-chlorophenyl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748173
1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 112702922
N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine
CID 115748187
3-fluoro-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748569
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
3-butoxy-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748161
3-(isoquinolin-4-ylmethylamino)-2,2-dimethylpropanenitrile
CID 104587163
N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine
CID 115748477
N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine
CID 63938964
3-(isoquinolin-4-ylmethylamino)propanoic acid
CID 104503840

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine (CID 103823450) is 1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine is CCc1ccc(CNCc2cncc3ccccc23)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine?
The InChIKey is MJKHFROPOSPKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-15-7-9-16(10-8-15)11-20-13-18-14-21-12-17-5-3-4-6-19(17)18/h3-10,12,14,20H,2,11,13H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine?
1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine has a molecular weight of 276.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine is sourced from PubChem (CID 103823450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).