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

C14H22N2O — CID 114522186

IUPAC2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCOC(C)C(C)N1CCc2cccc(N)c2C1
InChIInChI=1S/C14H22N2O/c1-10(11(2)17-3)16-8-7-12-5-4-6-14(15)13(12)9-16/h4-6,10-11H,7-9,15H2,1-3H3
InChIKeyOSXYVKOUQXWILC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds3

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

2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114522186) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114522186
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCOC(C)C(C)N1CCc2cccc(N)c2C1
InChIInChI=1S/C14H22N2O/c1-10(11(2)17-3)16-8-7-12-5-4-6-14(15)13(12)9-16/h4-6,10-11H,7-9,15H2,1-3H3
InChIKeyOSXYVKOUQXWILC-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43370011
2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61018845
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
CID 114524084
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114524003
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-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522370
2-(2-methoxy-1-phenylethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 103465020
2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43372441
2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522644
ethyl 8-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 114523491
2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine
CID 61470514

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 114522186) is 2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine is COC(C)C(C)N1CCc2cccc(N)c2C1.
What is the InChIKey of 2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is OSXYVKOUQXWILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(11(2)17-3)16-8-7-12-5-4-6-14(15)13(12)9-16/h4-6,10-11H,7-9,15H2,1-3H3.
What are the key properties of 2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 234.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114522186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).