2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

C17H18Cl2N2 — CID 43080008

IUPAC2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESNCC(c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1
InChIInChI=1S/C17H18Cl2N2/c18-15-6-5-13(9-16(15)19)17(10-20)21-8-7-12-3-1-2-4-14(12)11-21/h1-6,9,17H,7-8,10-11,20H2
InChIKeyACVCPRNLSWLNGE-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.05
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (PubChem CID 43080008) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
PubChem CID43080008
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESNCC(c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1
InChIInChI=1S/C17H18Cl2N2/c18-15-6-5-13(9-16(15)19)17(10-20)21-8-7-12-3-1-2-4-14(12)11-21/h1-6,9,17H,7-8,10-11,20H2
InChIKeyACVCPRNLSWLNGE-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
CID 16786774
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822114
4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol
CID 16782188
2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 62084695
2-(3,4-dichlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43105682
2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 63154718
2-(5-bromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 16796021
2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 61441053
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62136658
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane
CID 144898615
2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine
CID 62204806

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (CID 43080008) is 2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is NCC(c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The InChIKey is ACVCPRNLSWLNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-15-6-5-13(9-16(15)19)17(10-20)21-8-7-12-3-1-2-4-14(12)11-21/h1-6,9,17H,7-8,10-11,20H2.
What are the key properties of 2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine has a molecular weight of 321.25 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is sourced from PubChem (CID 43080008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).