(3-chlorophenyl)-isoquinolin-5-ylmethanamine

C16H13ClN2 — CID 55118758

IUPAC(3-chlorophenyl)-isoquinolin-5-ylmethanamine
SMILESNC(c1cccc(Cl)c1)c1cccc2cnccc12
InChIInChI=1S/C16H13ClN2/c17-13-5-1-3-11(9-13)16(18)15-6-2-4-12-10-19-8-7-14(12)15/h1-10,16H,18H2
InChIKeyZYEVFWAKLLKNCS-UHFFFAOYSA-N
MW268.75 g/mol
LogP3.94
Rot. Bonds2

About (3-chlorophenyl)-isoquinolin-5-ylmethanamine

(3-chlorophenyl)-isoquinolin-5-ylmethanamine (PubChem CID 55118758) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is (3-chlorophenyl)-isoquinolin-5-ylmethanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-isoquinolin-5-ylmethanamine
PubChem CID55118758
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name(3-chlorophenyl)-isoquinolin-5-ylmethanamine
SMILESNC(c1cccc(Cl)c1)c1cccc2cnccc12
InChIInChI=1S/C16H13ClN2/c17-13-5-1-3-11(9-13)16(18)15-6-2-4-12-10-19-8-7-14(12)15/h1-10,16H,18H2
InChIKeyZYEVFWAKLLKNCS-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

isoquinolin-5-yl(phenyl)methanamine
CID 55118760
isoquinolin-5-yl-(3-methoxyphenyl)methanamine
CID 62813526
(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853206
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992
(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853064
isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
CID 105143585
(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
[(2,5-dichlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303049
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
CID 63893316
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103137069
(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine
CID 103136517

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-isoquinolin-5-ylmethanamine?
The IUPAC name of (3-chlorophenyl)-isoquinolin-5-ylmethanamine (CID 55118758) is (3-chlorophenyl)-isoquinolin-5-ylmethanamine.
What is the SMILES notation for (3-chlorophenyl)-isoquinolin-5-ylmethanamine?
The canonical SMILES for (3-chlorophenyl)-isoquinolin-5-ylmethanamine is NC(c1cccc(Cl)c1)c1cccc2cnccc12.
What is the InChIKey of (3-chlorophenyl)-isoquinolin-5-ylmethanamine?
The InChIKey is ZYEVFWAKLLKNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-13-5-1-3-11(9-13)16(18)15-6-2-4-12-10-19-8-7-14(12)15/h1-10,16H,18H2.
What are the key properties of (3-chlorophenyl)-isoquinolin-5-ylmethanamine?
(3-chlorophenyl)-isoquinolin-5-ylmethanamine has a molecular weight of 268.75 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-isoquinolin-5-ylmethanamine is sourced from PubChem (CID 55118758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).