N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine

C19H20N2 — CID 63938964

IUPACN-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cncc3ccccc23)cc1
InChIInChI=1S/C19H20N2/c1-2-11-20-12-15-7-9-16(10-8-15)19-14-21-13-17-5-3-4-6-18(17)19/h3-10,13-14,20H,2,11-12H2,1H3
InChIKeyPDHZFUQSAIXJLD-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.40
Rot. Bonds5

About N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine

N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine (PubChem CID 63938964) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine
PubChem CID63938964
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cncc3ccccc23)cc1
InChIInChI=1S/C19H20N2/c1-2-11-20-12-15-7-9-16(10-8-15)19-14-21-13-17-5-3-4-6-18(17)19/h3-10,13-14,20H,2,11-12H2,1H3
InChIKeyPDHZFUQSAIXJLD-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Isoquinoline
CID 8405
Lauryl Isoquinolinium Bromide
CID 7132
BC-1215
CID 72201045
4-Aminoisoquinoline
CID 90237
3-Phenylisoquinoline
CID 609614
1-Phenylisoquinoline
CID 137882
3-(Naphthalen-2-yl)pyridine
CID 11845485
N-Methylisoquinolinium iodide
CID 19850
(3-Triphenylmethylaminomethyl)pyridine
CID 24868317
6-(4-Methylpyridin-3-yl)-2-naphthonitrile
CID 25034343
Lauryl isoquinolinium
CID 7133
1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium
CID 5758582

Frequently Asked Questions

What is the IUPAC name of N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine (CID 63938964) is N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine is CCCNCc1ccc(-c2cncc3ccccc23)cc1.
What is the InChIKey of N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine?
The InChIKey is PDHZFUQSAIXJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-11-20-12-15-7-9-16(10-8-15)19-14-21-13-17-5-3-4-6-18(17)19/h3-10,13-14,20H,2,11-12H2,1H3.
What are the key properties of N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine?
N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63938964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).