(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine

C16H12Cl2N2 — CID 115853206

IUPAC(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
SMILESNC(c1cccc(Cl)c1Cl)c1cccc2cnccc12
InChIInChI=1S/C16H12Cl2N2/c17-14-6-2-5-13(15(14)18)16(19)12-4-1-3-10-9-20-8-7-11(10)12/h1-9,16H,19H2
InChIKeyAJCVHLNLYNSFKC-UHFFFAOYSA-N
MW303.19 g/mol
LogP4.59
Rot. Bonds2

About (2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine

(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine (PubChem CID 115853206) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
PubChem CID115853206
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
SMILESNC(c1cccc(Cl)c1Cl)c1cccc2cnccc12
InChIInChI=1S/C16H12Cl2N2/c17-14-6-2-5-13(15(14)18)16(19)12-4-1-3-10-9-20-8-7-11(10)12/h1-9,16H,19H2
InChIKeyAJCVHLNLYNSFKC-UHFFFAOYSA-N
XLogP4.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853064
(3-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 55118758
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
(2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine
CID 115853191
(2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105065497
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
(2,3-dichlorophenyl)-quinolin-4-ylmethanamine
CID 105141880
isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
CID 105143585
[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303094

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine?
The IUPAC name of (2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine (CID 115853206) is (2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine?
The canonical SMILES for (2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine is NC(c1cccc(Cl)c1Cl)c1cccc2cnccc12.
What is the InChIKey of (2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine?
The InChIKey is AJCVHLNLYNSFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c17-14-6-2-5-13(15(14)18)16(19)12-4-1-3-10-9-20-8-7-11(10)12/h1-9,16H,19H2.
What are the key properties of (2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine?
(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine has a molecular weight of 303.19 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine is sourced from PubChem (CID 115853206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).