N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine

C19H18N2 — CID 43780496

IUPACN-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine
SMILESc1ccc2c(c1)CCC(Nc1cccc3cnccc13)C2
InChIInChI=1S/C19H18N2/c1-2-5-15-12-17(9-8-14(15)4-1)21-19-7-3-6-16-13-20-11-10-18(16)19/h1-7,10-11,13,17,21H,8-9,12H2
InChIKeyZKTNDFLGRLFXHR-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.20
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine

N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine (PubChem CID 43780496) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine
PubChem CID43780496
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine
SMILESc1ccc2c(c1)CCC(Nc1cccc3cnccc13)C2
InChIInChI=1S/C19H18N2/c1-2-5-15-12-17(9-8-14(15)4-1)21-19-7-3-6-16-13-20-11-10-18(16)19/h1-7,10-11,13,17,21H,8-9,12H2
InChIKeyZKTNDFLGRLFXHR-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-4-amine
CID 104777001
N-(1-methylpiperidin-4-yl)isoquinolin-5-amine
CID 43681291
N-(thian-4-yl)isoquinolin-5-amine
CID 43681409
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-5-amine
CID 43759315
N-(2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
CID 43512758
N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
CID 44594455
N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694147
N-(4-propylcycloheptyl)isoquinolin-5-amine
CID 65086322
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43758617
(3S)-3-(hydroxymethyl)-N-isoquinolin-5-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 54449916
(2R)-N-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 31196228
2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazine-2,6-diamine
CID 78988868

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine (CID 43780496) is N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine is c1ccc2c(c1)CCC(Nc1cccc3cnccc13)C2.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine?
The InChIKey is ZKTNDFLGRLFXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-2-5-15-12-17(9-8-14(15)4-1)21-19-7-3-6-16-13-20-11-10-18(16)19/h1-7,10-11,13,17,21H,8-9,12H2.
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine?
N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine has a molecular weight of 274.37 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine is sourced from PubChem (CID 43780496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).