1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine

C17H26N2O2 — CID 63913641

IUPAC1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine
SMILESCNC(CN1CCc2cc(OC)c(OC)cc2C1)C1CC1
InChIInChI=1S/C17H26N2O2/c1-18-15(12-4-5-12)11-19-7-6-13-8-16(20-2)17(21-3)9-14(13)10-19/h8-9,12,15,18H,4-7,10-11H2,1-3H3
InChIKeyQULPNYTZFDVPOQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.06
Rot. Bonds6

About 1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine

1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine (PubChem CID 63913641) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine
PubChem CID63913641
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine
SMILESCNC(CN1CCc2cc(OC)c(OC)cc2C1)C1CC1
InChIInChI=1S/C17H26N2O2/c1-18-15(12-4-5-12)11-19-7-6-13-8-16(20-2)17(21-3)9-14(13)10-19/h8-9,12,15,18H,4-7,10-11H2,1-3H3
InChIKeyQULPNYTZFDVPOQ-UHFFFAOYSA-N
XLogP2.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine?
The IUPAC name of 1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine (CID 63913641) is 1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine is CNC(CN1CCc2cc(OC)c(OC)cc2C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine?
The InChIKey is QULPNYTZFDVPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-15(12-4-5-12)11-19-7-6-13-8-16(20-2)17(21-3)9-14(13)10-19/h8-9,12,15,18H,4-7,10-11H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine?
1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine has a molecular weight of 290.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine is sourced from PubChem (CID 63913641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).