3-tert-butyl-4-phenylisoquinolin-1-amine

C19H20N2 — CID 58517608

IUPAC3-tert-butyl-4-phenylisoquinolin-1-amine
SMILESCC(C)(C)c1nc(N)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C19H20N2/c1-19(2,3)17-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)18(20)21-17/h4-12H,1-3H3,(H2,20,21)
InChIKeyVHVFQQYWYNRZHB-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.78
Rot. Bonds1

About 3-tert-butyl-4-phenylisoquinolin-1-amine

3-tert-butyl-4-phenylisoquinolin-1-amine (PubChem CID 58517608) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-tert-butyl-4-phenylisoquinolin-1-amine.

Molecular Properties

Compound Name3-tert-butyl-4-phenylisoquinolin-1-amine
PubChem CID58517608
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name3-tert-butyl-4-phenylisoquinolin-1-amine
SMILESCC(C)(C)c1nc(N)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C19H20N2/c1-19(2,3)17-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)18(20)21-17/h4-12H,1-3H3,(H2,20,21)
InChIKeyVHVFQQYWYNRZHB-UHFFFAOYSA-N
XLogP4.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-amino-4-phenylquinolin-2-yl)propan-2-ol
CID 132590331
4-phenylisoquinolin-3-amine
CID 21162095
methyl 1-tert-butyl-4-phenylisoquinoline-3-carboxylate
CID 132849269
2-(4-tert-butylphenyl)quinazolin-4-amine
CID 23762885
1-tert-butyl-3-methyl-2,4-diphenylnaphthalene
CID 10569884
3-methyl-2,4-diphenylnaphthalen-1-amine
CID 174555006
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
5-methyl-3-phenylisoquinolin-1-amine
CID 58517503
3,4-bis(4-methylphenyl)quinolin-2-amine
CID 102531411
3-(aminomethyl)-4-phenylquinolin-2-amine
CID 10285988
9-(4-methylphenyl)-10-phenylanthracene
CID 631292

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-phenylisoquinolin-1-amine?
The IUPAC name of 3-tert-butyl-4-phenylisoquinolin-1-amine (CID 58517608) is 3-tert-butyl-4-phenylisoquinolin-1-amine.
What is the SMILES notation for 3-tert-butyl-4-phenylisoquinolin-1-amine?
The canonical SMILES for 3-tert-butyl-4-phenylisoquinolin-1-amine is CC(C)(C)c1nc(N)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-tert-butyl-4-phenylisoquinolin-1-amine?
The InChIKey is VHVFQQYWYNRZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-19(2,3)17-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)18(20)21-17/h4-12H,1-3H3,(H2,20,21).
What are the key properties of 3-tert-butyl-4-phenylisoquinolin-1-amine?
3-tert-butyl-4-phenylisoquinolin-1-amine has a molecular weight of 276.38 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-phenylisoquinolin-1-amine is sourced from PubChem (CID 58517608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).