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

C19H24N2 — CID 24839774

IUPAC2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC(C)c1ccc(C2CN(C)Cc3c(N)cccc32)cc1
InChIInChI=1S/C19H24N2/c1-13(2)14-7-9-15(10-8-14)17-11-21(3)12-18-16(17)5-4-6-19(18)20/h4-10,13,17H,11-12,20H2,1-3H3
InChIKeyWXEQLPLNEBFMSK-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.97
Rot. Bonds2

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

2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 24839774) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID24839774
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC(C)c1ccc(C2CN(C)Cc3c(N)cccc32)cc1
InChIInChI=1S/C19H24N2/c1-13(2)14-7-9-15(10-8-14)17-11-21(3)12-18-16(17)5-4-6-19(18)20/h4-10,13,17H,11-12,20H2,1-3H3
InChIKeyWXEQLPLNEBFMSK-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.97
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

Nomifensine
CID 4528
Dimetacrine
CID 94280
(S)-Nomifensine
CID 55993
(+)-Nomifensine
CID 12884652
5-Amino-1,2,3,4-tetrahydroisoquinoline
CID 16217499
3-((S)-1-Propyl-piperidin-3-yl)-phenylamine
CID 10013665
Monometacrine
CID 145765
Dihydroethidium
CID 128682
3-Butyl-1-(naphthalen-1-yl)piperidin-4-amine
CID 44431763
7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 134139964
7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 134142903
7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 134147456

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 24839774) is 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine is CC(C)c1ccc(C2CN(C)Cc3c(N)cccc32)cc1.
What is the InChIKey of 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is WXEQLPLNEBFMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-13(2)14-7-9-15(10-8-14)17-11-21(3)12-18-16(17)5-4-6-19(18)20/h4-10,13,17H,11-12,20H2,1-3H3.
What are the key properties of 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 280.42 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 24839774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).