2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine

C19H24N2 — CID 114522154

IUPAC2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC(CCc1ccccc1)N1CCc2cccc(N)c2C1
InChIInChI=1S/C19H24N2/c1-15(10-11-16-6-3-2-4-7-16)21-13-12-17-8-5-9-19(20)18(17)14-21/h2-9,15H,10-14,20H2,1H3
InChIKeyXMIKGQCHJQZKTG-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.65
Rot. Bonds4

About 2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine

2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114522154) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114522154
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC(CCc1ccccc1)N1CCc2cccc(N)c2C1
InChIInChI=1S/C19H24N2/c1-15(10-11-16-6-3-2-4-7-16)21-13-12-17-8-5-9-19(20)18(17)14-21/h2-9,15H,10-14,20H2,1H3
InChIKeyXMIKGQCHJQZKTG-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522370
1-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 114522812
2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 114832254
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
CID 114524084
2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43370011
2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43372441
2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine
CID 84786382
2-[1-(4-bromophenyl)propyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522278
2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine
CID 43370258
2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522644
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 783939

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 114522154) is 2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine is CC(CCc1ccccc1)N1CCc2cccc(N)c2C1.
What is the InChIKey of 2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is XMIKGQCHJQZKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-15(10-11-16-6-3-2-4-7-16)21-13-12-17-8-5-9-19(20)18(17)14-21/h2-9,15H,10-14,20H2,1H3.
What are the key properties of 2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 280.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114522154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).