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

C19H24N2 — CID 114522370

IUPAC2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCC(Cc1ccccc1)N1CCc2cccc(N)c2C1
InChIInChI=1S/C19H24N2/c1-2-17(13-15-7-4-3-5-8-15)21-12-11-16-9-6-10-19(20)18(16)14-21/h3-10,17H,2,11-14,20H2,1H3
InChIKeyUHBRLTPVWCMQJK-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.65
Rot. Bonds4

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

2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114522370) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114522370
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCC(Cc1ccccc1)N1CCc2cccc(N)c2C1
InChIInChI=1S/C19H24N2/c1-2-17(13-15-7-4-3-5-8-15)21-12-11-16-9-6-10-19(20)18(16)14-21/h3-10,17H,2,11-14,20H2,1H3
InChIKeyUHBRLTPVWCMQJK-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-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522154
2-[1-(4-bromophenyl)propyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522278
2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522186
3-pentan-3-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 86055539
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-phenylpropanamide;dihydrochloride
CID 119850402
2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine
CID 61470514
1-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 114522812
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114524003
2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019106
2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43370011
2-[1-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)propyl]phenol
CID 61019002
2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522494

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 114522370) is 2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine is CCC(Cc1ccccc1)N1CCc2cccc(N)c2C1.
What is the InChIKey of 2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is UHBRLTPVWCMQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-17(13-15-7-4-3-5-8-15)21-12-11-16-9-6-10-19(20)18(16)14-21/h3-10,17H,2,11-14,20H2,1H3.
What are the key properties of 2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(1-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-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114522370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).