isoquinolin-1-yl-(4-propylphenyl)methanamine

C19H20N2 — CID 63949863

IUPACisoquinolin-1-yl-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)c2nccc3ccccc23)cc1
InChIInChI=1S/C19H20N2/c1-2-5-14-8-10-16(11-9-14)18(20)19-17-7-4-3-6-15(17)12-13-21-19/h3-4,6-13,18H,2,5,20H2,1H3
InChIKeyHCSBMPHMQOKILC-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.24
Rot. Bonds4

About isoquinolin-1-yl-(4-propylphenyl)methanamine

isoquinolin-1-yl-(4-propylphenyl)methanamine (PubChem CID 63949863) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is isoquinolin-1-yl-(4-propylphenyl)methanamine.

Molecular Properties

Compound Nameisoquinolin-1-yl-(4-propylphenyl)methanamine
PubChem CID63949863
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Nameisoquinolin-1-yl-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)c2nccc3ccccc23)cc1
InChIInChI=1S/C19H20N2/c1-2-5-14-8-10-16(11-9-14)18(20)19-17-7-4-3-6-15(17)12-13-21-19/h3-4,6-13,18H,2,5,20H2,1H3
InChIKeyHCSBMPHMQOKILC-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-isoquinolin-1-ylmethanamine
CID 63949053
(4-propylphenyl)-quinolin-4-ylmethanamine
CID 105144415
isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine
CID 63950472
furan-2-yl-(4-propylphenyl)methanamine
CID 43464285
1-isoquinolin-1-yl-4-phenylbutan-1-amine
CID 63950465
1-isoquinolin-1-ylnonan-1-amine
CID 63948030
(4-propylphenyl)-pyrazin-2-ylmethanamine
CID 62801095
N-[(4-fluorophenyl)-isoquinolin-1-ylmethyl]ethanamine
CID 63948856
2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine
CID 65476898
1-isoquinolin-1-yl-3-phenylpropan-1-ol
CID 63950464
(4-ethylphenyl)-quinolin-4-ylmethanamine
CID 105121771
1-isoquinolin-1-ylpentylhydrazine
CID 105220521

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-(4-propylphenyl)methanamine?
The IUPAC name of isoquinolin-1-yl-(4-propylphenyl)methanamine (CID 63949863) is isoquinolin-1-yl-(4-propylphenyl)methanamine.
What is the SMILES notation for isoquinolin-1-yl-(4-propylphenyl)methanamine?
The canonical SMILES for isoquinolin-1-yl-(4-propylphenyl)methanamine is CCCc1ccc(C(N)c2nccc3ccccc23)cc1.
What is the InChIKey of isoquinolin-1-yl-(4-propylphenyl)methanamine?
The InChIKey is HCSBMPHMQOKILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-5-14-8-10-16(11-9-14)18(20)19-17-7-4-3-6-15(17)12-13-21-19/h3-4,6-13,18H,2,5,20H2,1H3.
What are the key properties of isoquinolin-1-yl-(4-propylphenyl)methanamine?
isoquinolin-1-yl-(4-propylphenyl)methanamine has a molecular weight of 276.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-(4-propylphenyl)methanamine is sourced from PubChem (CID 63949863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).