2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine

C14H22N2O — CID 18382595

IUPAC2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine
SMILESCOCCN1Cc2cc(N)ccc2C(C)(C)C1
InChIInChI=1S/C14H22N2O/c1-14(2)10-16(6-7-17-3)9-11-8-12(15)4-5-13(11)14/h4-5,8H,6-7,9-10,15H2,1-3H3
InChIKeyUBRBGRPODBBFPD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.01
Rot. Bonds3

About 2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine

2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine (PubChem CID 18382595) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine
PubChem CID18382595
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine
SMILESCOCCN1Cc2cc(N)ccc2C(C)(C)C1
InChIInChI=1S/C14H22N2O/c1-14(2)10-16(6-7-17-3)9-11-8-12(15)4-5-13(11)14/h4-5,8H,6-7,9-10,15H2,1-3H3
InChIKeyUBRBGRPODBBFPD-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine?
The IUPAC name of 2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine (CID 18382595) is 2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine.
What is the SMILES notation for 2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine?
The canonical SMILES for 2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine is COCCN1Cc2cc(N)ccc2C(C)(C)C1.
What is the InChIKey of 2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine?
The InChIKey is UBRBGRPODBBFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)10-16(6-7-17-3)9-11-8-12(15)4-5-13(11)14/h4-5,8H,6-7,9-10,15H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine?
2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine has a molecular weight of 234.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine is sourced from PubChem (CID 18382595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).