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

C16H17Cl2N — CID 170992748

IUPAC6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
SMILESCC1(c2ccccc2)NCCc2cc(Cl)ccc21.Cl
InChIInChI=1S/C16H16ClN.ClH/c1-16(13-5-3-2-4-6-13)15-8-7-14(17)11-12(15)9-10-18-16;/h2-8,11,18H,9-10H2,1H3;1H
InChIKeyDORDMTGOUJJFBK-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.17
Rot. Bonds1

About 6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride

6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride (PubChem CID 170992748) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
PubChem CID170992748
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
SMILESCC1(c2ccccc2)NCCc2cc(Cl)ccc21.Cl
InChIInChI=1S/C16H16ClN.ClH/c1-16(13-5-3-2-4-6-13)15-8-7-14(17)11-12(15)9-10-18-16;/h2-8,11,18H,9-10H2,1H3;1H
InChIKeyDORDMTGOUJJFBK-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
The IUPAC name of 6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride (CID 170992748) is 6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride.
What is the SMILES notation for 6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
The canonical SMILES for 6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride is CC1(c2ccccc2)NCCc2cc(Cl)ccc21.Cl.
What is the InChIKey of 6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
The InChIKey is DORDMTGOUJJFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN.ClH/c1-16(13-5-3-2-4-6-13)15-8-7-14(17)11-12(15)9-10-18-16;/h2-8,11,18H,9-10H2,1H3;1H.
What are the key properties of 6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride has a molecular weight of 294.23 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride is sourced from PubChem (CID 170992748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).