3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride

C17H20ClN3 — CID 139835256

IUPAC3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride
SMILESCl.NCCc1cccc(C2Cc3ccccc3C(N)=N2)c1
InChIInChI=1S/C17H19N3.ClH/c18-9-8-12-4-3-6-14(10-12)16-11-13-5-1-2-7-15(13)17(19)20-16;/h1-7,10,16H,8-9,11,18H2,(H2,19,20);1H
InChIKeyGNEVYANKUCMEIR-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.61
Rot. Bonds3

About 3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride

3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride (PubChem CID 139835256) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride
PubChem CID139835256
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride
SMILESCl.NCCc1cccc(C2Cc3ccccc3C(N)=N2)c1
InChIInChI=1S/C17H19N3.ClH/c18-9-8-12-4-3-6-14(10-12)16-11-13-5-1-2-7-15(13)17(19)20-16;/h1-7,10,16H,8-9,11,18H2,(H2,19,20);1H
InChIKeyGNEVYANKUCMEIR-UHFFFAOYSA-N
XLogP2.61
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The IUPAC name of 3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride (CID 139835256) is 3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride.
What is the SMILES notation for 3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The canonical SMILES for 3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride is Cl.NCCc1cccc(C2Cc3ccccc3C(N)=N2)c1.
What is the InChIKey of 3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The InChIKey is GNEVYANKUCMEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3.ClH/c18-9-8-12-4-3-6-14(10-12)16-11-13-5-1-2-7-15(13)17(19)20-16;/h1-7,10,16H,8-9,11,18H2,(H2,19,20);1H.
What are the key properties of 3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride?
3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride is sourced from PubChem (CID 139835256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).