2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride

C19H23ClN2 — CID 156705959

IUPAC2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
SMILESCN(c1ccccc1)c1ccc2c(c1)CN(C1CC1)CC2.Cl
InChIInChI=1S/C19H22N2.ClH/c1-20(17-5-3-2-4-6-17)19-8-7-15-11-12-21(18-9-10-18)14-16(15)13-19;/h2-8,13,18H,9-12,14H2,1H3;1H
InChIKeyQJVDCPVIIHQSAC-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.40
Rot. Bonds3

About 2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride

2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride (PubChem CID 156705959) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
PubChem CID156705959
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
SMILESCN(c1ccccc1)c1ccc2c(c1)CN(C1CC1)CC2.Cl
InChIInChI=1S/C19H22N2.ClH/c1-20(17-5-3-2-4-6-17)19-8-7-15-11-12-21(18-9-10-18)14-16(15)13-19;/h2-8,13,18H,9-12,14H2,1H3;1H
InChIKeyQJVDCPVIIHQSAC-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The IUPAC name of 2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride (CID 156705959) is 2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The canonical SMILES for 2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride is CN(c1ccccc1)c1ccc2c(c1)CN(C1CC1)CC2.Cl.
What is the InChIKey of 2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The InChIKey is QJVDCPVIIHQSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2.ClH/c1-20(17-5-3-2-4-6-17)19-8-7-15-11-12-21(18-9-10-18)14-16(15)13-19;/h2-8,13,18H,9-12,14H2,1H3;1H.
What are the key properties of 2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride is sourced from PubChem (CID 156705959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).