3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride

C15H14Cl2N2 — CID 18785913

IUPAC3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride
SMILESCl.NC1=NC(c2ccc(Cl)cc2)Cc2ccccc21
InChIInChI=1S/C15H13ClN2.ClH/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14;/h1-8,14H,9H2,(H2,17,18);1H
InChIKeySQFCVCYONNVDCX-UHFFFAOYSA-N
MW293.20 g/mol
LogP3.76
Rot. Bonds1

About 3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride

3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride (PubChem CID 18785913) has the molecular formula C15H14Cl2N2 and a molecular weight of 293.20 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride
PubChem CID18785913
Molecular FormulaC15H14Cl2N2
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride
SMILESCl.NC1=NC(c2ccc(Cl)cc2)Cc2ccccc21
InChIInChI=1S/C15H13ClN2.ClH/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14;/h1-8,14H,9H2,(H2,17,18);1H
InChIKeySQFCVCYONNVDCX-UHFFFAOYSA-N
XLogP3.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N'-[(4-chlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9921582
(E)-N'-benzyl-3-(4-chlorophenyl)prop-2-enimidamide
CID 9921583
3,4-Dichloro-N-(3-chloro-benzyl)-benzamidine
CID 20706422
3-Chloro-N-(3-chloro-benzyl)-benzamidine
CID 20706430
4-Chloro-N-(3-chloro-benzyl)-benzamidine
CID 20706433
N-benzyl-4-chlorobenzenecarboximidamide
CID 2806914
4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride
CID 2945295
4-chlorobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone
CID 6894587
3-Phenyl-3,4-dihydro-isoquinolin-1-ylamine
CID 9795129
3-(4-Fluoro-phenyl)-3,4-dihydro-isoquinolin-1-ylamine
CID 18785851
8-Chloro-3-phenyl-3,4-dihydro-isoquinolin-1-ylamine
CID 18785879
8-Chloro-3-(4-fluoro-phenyl)-3,4-dihydro-isoquinolin-1-ylamine
CID 18785885

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride (CID 18785913) is 3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride is Cl.NC1=NC(c2ccc(Cl)cc2)Cc2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The InChIKey is SQFCVCYONNVDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2.ClH/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14;/h1-8,14H,9H2,(H2,17,18);1H.
What are the key properties of 3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride?
3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride has a molecular weight of 293.20 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride is sourced from PubChem (CID 18785913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).