N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine

C19H20N2 — CID 43681331

IUPACN-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine
SMILESCc1ccc(C(C)Nc2cccc3cnccc23)cc1C
InChIInChI=1S/C19H20N2/c1-13-7-8-16(11-14(13)2)15(3)21-19-6-4-5-17-12-20-10-9-18(17)19/h4-12,15,21H,1-3H3
InChIKeyFTZCAEXMYWSLJT-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.02
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine

N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine (PubChem CID 43681331) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine
PubChem CID43681331
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine
SMILESCc1ccc(C(C)Nc2cccc3cnccc23)cc1C
InChIInChI=1S/C19H20N2/c1-13-7-8-16(11-14(13)2)15(3)21-19-6-4-5-17-12-20-10-9-18(17)19/h4-12,15,21H,1-3H3
InChIKeyFTZCAEXMYWSLJT-UHFFFAOYSA-N
XLogP5.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3,4-dimethylphenyl)ethyl]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

5-[1-(isoquinolin-5-ylamino)ethyl]benzene-1,3-diol
CID 107705516
N-[1-(2,5-dimethylphenyl)ethyl]isoquinolin-5-amine
CID 43681276
N-[1-(3-chloro-4-fluorophenyl)ethyl]isoquinolin-5-amine
CID 43681264
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219
[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303015
4-methyl-N-(1-naphthalen-2-ylethyl)pyridin-3-amine
CID 63329846
N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine
CID 43681370
N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine
CID 115925880
N-[(2R)-butan-2-yl]isoquinolin-5-amine
CID 93261822
1-(3,4-dimethylphenyl)-3-isoquinolin-5-ylthiourea
CID 2361774
2-(isoquinolin-5-ylamino)propanoic acid
CID 66172493
N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine
CID 43780492

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine (CID 43681331) is N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine is Cc1ccc(C(C)Nc2cccc3cnccc23)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine?
The InChIKey is FTZCAEXMYWSLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13-7-8-16(11-14(13)2)15(3)21-19-6-4-5-17-12-20-10-9-18(17)19/h4-12,15,21H,1-3H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine?
N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine has a molecular weight of 276.38 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine is sourced from PubChem (CID 43681331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).