5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine

C14H20N2O — CID 167201751

IUPAC5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1CCc2c(cc(N)cc2OCC2CC2)C1
InChIInChI=1S/C14H20N2O/c1-16-5-4-13-11(8-16)6-12(15)7-14(13)17-9-10-2-3-10/h6-7,10H,2-5,8-9,15H2,1H3
InChIKeyPPFPXVOLQFBXCJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.05
Rot. Bonds3

About 5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine

5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 167201751) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID167201751
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1CCc2c(cc(N)cc2OCC2CC2)C1
InChIInChI=1S/C14H20N2O/c1-16-5-4-13-11(8-16)6-12(15)7-14(13)17-9-10-2-3-10/h6-7,10H,2-5,8-9,15H2,1H3
InChIKeyPPFPXVOLQFBXCJ-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.05
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 5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (CID 167201751) is 5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is CN1CCc2c(cc(N)cc2OCC2CC2)C1.
What is the InChIKey of 5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is PPFPXVOLQFBXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-5-4-13-11(8-16)6-12(15)7-14(13)17-9-10-2-3-10/h6-7,10H,2-5,8-9,15H2,1H3.
What are the key properties of 5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 232.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 167201751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).