2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine

C16H18N2 — CID 4528

💊View drug profile → nomifensine
IUPAC2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1Cc2c(N)cccc2C(c2ccccc2)C1
InChIInChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
InChIKeyXXPANQJNYNUNES-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.85
Rot. Bonds1

About 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine

2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 4528) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID4528
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1Cc2c(N)cccc2C(c2ccccc2)C1
InChIInChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
InChIKeyXXPANQJNYNUNES-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.85
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

Dimetacrine
CID 94280
Nomifensine Maleate
CID 5358907
1-(1-Naphthyl)piperazine
CID 1342
(S)-Nomifensine
CID 55993
(+)-Nomifensine
CID 12884652
1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine
CID 98698
5-Amino-1,2,3,4-tetrahydroisoquinoline
CID 16217499
N-(2,3-dimethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 3840885
3-((S)-1-Propyl-piperidin-3-yl)-phenylamine
CID 10013665
Dihydroethidium
CID 128682
3-Butyl-1-(naphthalen-1-yl)piperidin-4-amine
CID 44431763
4-[(6S,10bR)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]aniline;hydrobromide
CID 13646526

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine (CID 4528) is 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine is CN1Cc2c(N)cccc2C(c2ccccc2)C1.
What is the InChIKey of 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is XXPANQJNYNUNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3.
What are the key properties of 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 238.33 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 4528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).