2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride

C15H16ClN — CID 21276884

IUPAC2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCl.c1ccc(N2CCc3ccccc3C2)cc1
InChIInChI=1S/C15H15N.ClH/c1-2-8-15(9-3-1)16-11-10-13-6-4-5-7-14(13)12-16;/h1-9H,10-12H2;1H
InChIKeyIFVZMFNNUNJWGD-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.67
Rot. Bonds1

About 2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride

2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 21276884) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID21276884
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCl.c1ccc(N2CCc3ccccc3C2)cc1
InChIInChI=1S/C15H15N.ClH/c1-2-8-15(9-3-1)16-11-10-13-6-4-5-7-14(13)12-16;/h1-9H,10-12H2;1H
InChIKeyIFVZMFNNUNJWGD-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
2-(1-phenylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline
CID 110454638
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylaniline
CID 110454622
7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 168897972
2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 168898086
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 139461226
2-[4-(dimethylsulfamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline
CID 112983357
2-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline
CID 14980700
4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzaldehyde
CID 63153102
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline
CID 62911258
2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 112953240
N'-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-N-(2-phenylethyl)oxamide
CID 16891263

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 21276884) is 2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride is Cl.c1ccc(N2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is IFVZMFNNUNJWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.ClH/c1-2-8-15(9-3-1)16-11-10-13-6-4-5-7-14(13)12-16;/h1-9H,10-12H2;1H.
What are the key properties of 2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 21276884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).