N-(4-methylphenyl)isoquinolin-1-amine

C16H14N2 — CID 3248179

IUPACN-(4-methylphenyl)isoquinolin-1-amine
SMILESCc1ccc(Nc2nccc3ccccc23)cc1
InChIInChI=1S/C16H14N2/c1-12-6-8-14(9-7-12)18-16-15-5-3-2-4-13(15)10-11-17-16/h2-11H,1H3,(H,17,18)
InChIKeyYIFSKYAYMLEEOQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.29
Rot. Bonds2

About N-(4-methylphenyl)isoquinolin-1-amine

N-(4-methylphenyl)isoquinolin-1-amine (PubChem CID 3248179) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-methylphenyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)isoquinolin-1-amine
PubChem CID3248179
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC NameN-(4-methylphenyl)isoquinolin-1-amine
SMILESCc1ccc(Nc2nccc3ccccc23)cc1
InChIInChI=1S/C16H14N2/c1-12-6-8-14(9-7-12)18-16-15-5-3-2-4-13(15)10-11-17-16/h2-11H,1H3,(H,17,18)
InChIKeyYIFSKYAYMLEEOQ-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)isoquinolin-1-amine?
The IUPAC name of N-(4-methylphenyl)isoquinolin-1-amine (CID 3248179) is N-(4-methylphenyl)isoquinolin-1-amine.
What is the SMILES notation for N-(4-methylphenyl)isoquinolin-1-amine?
The canonical SMILES for N-(4-methylphenyl)isoquinolin-1-amine is Cc1ccc(Nc2nccc3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)isoquinolin-1-amine?
The InChIKey is YIFSKYAYMLEEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-12-6-8-14(9-7-12)18-16-15-5-3-2-4-13(15)10-11-17-16/h2-11H,1H3,(H,17,18).
What are the key properties of N-(4-methylphenyl)isoquinolin-1-amine?
N-(4-methylphenyl)isoquinolin-1-amine has a molecular weight of 234.30 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)isoquinolin-1-amine is sourced from PubChem (CID 3248179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).