2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride

C16H17Cl2N — CID 3055748

IUPAC2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCl.Clc1ccccc1CN1CCc2ccccc2C1
InChIInChI=1S/C16H16ClN.ClH/c17-16-8-4-3-7-15(16)12-18-10-9-13-5-1-2-6-14(13)11-18;/h1-8H,9-12H2;1H
InChIKeySQDXHOLLGPCAAY-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.32
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride

2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 3055748) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID3055748
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCl.Clc1ccccc1CN1CCc2ccccc2C1
InChIInChI=1S/C16H16ClN.ClH/c17-16-8-4-3-7-15(16)12-18-10-9-13-5-1-2-6-14(13)11-18;/h1-8H,9-12H2;1H
InChIKeySQDXHOLLGPCAAY-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 3055748) is 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride is Cl.Clc1ccccc1CN1CCc2ccccc2C1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is SQDXHOLLGPCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN.ClH/c17-16-8-4-3-7-15(16)12-18-10-9-13-5-1-2-6-14(13)11-18;/h1-8H,9-12H2;1H.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 294.23 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 3055748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).