3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine

C16H19N3 — CID 71521304

IUPAC3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1Cc2cc(N)ccc2CC1c1ccc(N)cc1
InChIInChI=1S/C16H19N3/c1-19-10-13-8-15(18)7-4-12(13)9-16(19)11-2-5-14(17)6-3-11/h2-8,16H,9-10,17-18H2,1H3
InChIKeyMFVGLWXWIGTTSC-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.58
Rot. Bonds1

About 3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine

3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 71521304) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID71521304
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1Cc2cc(N)ccc2CC1c1ccc(N)cc1
InChIInChI=1S/C16H19N3/c1-19-10-13-8-15(18)7-4-12(13)9-16(19)11-2-5-14(17)6-3-11/h2-8,16H,9-10,17-18H2,1H3
InChIKeyMFVGLWXWIGTTSC-UHFFFAOYSA-N
XLogP2.58
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 20588416
(2R)-2-N,2-N-dimethyl-2,3-dihydro-1H-indene-2,5-diamine
CID 58289987
3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine
CID 83853025
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine
CID 65470527
(5-amino-2,3-dihydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 89394423
7-amino-2-[hydroxy(methyl)boranyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;tungsten
CID 20588413
2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine
CID 15023223
2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine
CID 24810857
5-amino-2,3-dihydro-1H-indene-2-carbonitrile
CID 18958964
(6aS)-3-[5-[[(6aS)-2-methoxy-5-methyl-6,14-dioxo-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-10-amino-2-methoxy-5-methyl-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepine-6,14-dione
CID 126689889
bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 11116040
bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine
CID 163502937

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (CID 71521304) is 3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is CN1Cc2cc(N)ccc2CC1c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is MFVGLWXWIGTTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-19-10-13-8-15(18)7-4-12(13)9-16(19)11-2-5-14(17)6-3-11/h2-8,16H,9-10,17-18H2,1H3.
What are the key properties of 3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 253.35 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 71521304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).