2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine

C14H18N2 — CID 82577228

IUPAC2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine
SMILESCc1cc2ccccc2c(CC(C)(C)N)n1
InChIInChI=1S/C14H18N2/c1-10-8-11-6-4-5-7-12(11)13(16-10)9-14(2,3)15/h4-8H,9,15H2,1-3H3
InChIKeyZLTUGZUNOWKHQT-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.82
Rot. Bonds2

About 2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine

2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine (PubChem CID 82577228) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine
PubChem CID82577228
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine
SMILESCc1cc2ccccc2c(CC(C)(C)N)n1
InChIInChI=1S/C14H18N2/c1-10-8-11-6-4-5-7-12(11)13(16-10)9-14(2,3)15/h4-8H,9,15H2,1-3H3
InChIKeyZLTUGZUNOWKHQT-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine (CID 82577228) is 2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine is Cc1cc2ccccc2c(CC(C)(C)N)n1.
What is the InChIKey of 2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine?
The InChIKey is ZLTUGZUNOWKHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-8-11-6-4-5-7-12(11)13(16-10)9-14(2,3)15/h4-8H,9,15H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine?
2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine has a molecular weight of 214.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine is sourced from PubChem (CID 82577228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).