(4-chlorophenyl)-isoquinolin-1-ylmethanamine

C16H13ClN2 — CID 63949053

IUPAC(4-chlorophenyl)-isoquinolin-1-ylmethanamine
SMILESNC(c1ccc(Cl)cc1)c1nccc2ccccc12
InChIInChI=1S/C16H13ClN2/c17-13-7-5-12(6-8-13)15(18)16-14-4-2-1-3-11(14)9-10-19-16/h1-10,15H,18H2
InChIKeyBRZNGOSOXDIGND-UHFFFAOYSA-N
MW268.75 g/mol
LogP3.94
Rot. Bonds2

About (4-chlorophenyl)-isoquinolin-1-ylmethanamine

(4-chlorophenyl)-isoquinolin-1-ylmethanamine (PubChem CID 63949053) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is (4-chlorophenyl)-isoquinolin-1-ylmethanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-isoquinolin-1-ylmethanamine
PubChem CID63949053
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name(4-chlorophenyl)-isoquinolin-1-ylmethanamine
SMILESNC(c1ccc(Cl)cc1)c1nccc2ccccc12
InChIInChI=1S/C16H13ClN2/c17-13-7-5-12(6-8-13)15(18)16-14-4-2-1-3-11(14)9-10-19-16/h1-10,15H,18H2
InChIKeyBRZNGOSOXDIGND-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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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-isoquinolin-1-ylmethanamine?
The IUPAC name of (4-chlorophenyl)-isoquinolin-1-ylmethanamine (CID 63949053) is (4-chlorophenyl)-isoquinolin-1-ylmethanamine.
What is the SMILES notation for (4-chlorophenyl)-isoquinolin-1-ylmethanamine?
The canonical SMILES for (4-chlorophenyl)-isoquinolin-1-ylmethanamine is NC(c1ccc(Cl)cc1)c1nccc2ccccc12.
What is the InChIKey of (4-chlorophenyl)-isoquinolin-1-ylmethanamine?
The InChIKey is BRZNGOSOXDIGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-13-7-5-12(6-8-13)15(18)16-14-4-2-1-3-11(14)9-10-19-16/h1-10,15H,18H2.
What are the key properties of (4-chlorophenyl)-isoquinolin-1-ylmethanamine?
(4-chlorophenyl)-isoquinolin-1-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 (4-chlorophenyl)-isoquinolin-1-ylmethanamine is sourced from PubChem (CID 63949053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).