2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine

C19H24N2 — CID 114522644

IUPAC2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC(C)c1ccc(CN2CCc3cccc(N)c3C2)cc1
InChIInChI=1S/C19H24N2/c1-14(2)16-8-6-15(7-9-16)12-21-11-10-17-4-3-5-19(20)18(17)13-21/h3-9,14H,10-13,20H2,1-2H3
InChIKeyCXEXIGPQGFGGDQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.95
Rot. Bonds3

About 2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine

2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114522644) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114522644
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC(C)c1ccc(CN2CCc3cccc(N)c3C2)cc1
InChIInChI=1S/C19H24N2/c1-14(2)16-8-6-15(7-9-16)12-21-11-10-17-4-3-5-19(20)18(17)13-21/h3-9,14H,10-13,20H2,1-2H3
InChIKeyCXEXIGPQGFGGDQ-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.95
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-[(3-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 106817889
2-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114521933
2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522494
4-[(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzene-1,2-diol
CID 114522372
2-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522622
3-[(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 114522523
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581881
2-[(2-bromo-4-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522273
2-[(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522016
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370254
1-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-2-ol
CID 114524064
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524197

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine (CID 114522644) is 2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine is CC(C)c1ccc(CN2CCc3cccc(N)c3C2)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is CXEXIGPQGFGGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-14(2)16-8-6-15(7-9-16)12-21-11-10-17-4-3-5-19(20)18(17)13-21/h3-9,14H,10-13,20H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine?
2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 280.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114522644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).