2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine

C16H20N2O — CID 103699309

IUPAC2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine
SMILESc1ccc2nc(CNCCOCC3CC3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-2-4-16-14(3-1)7-8-15(18-16)11-17-9-10-19-12-13-5-6-13/h1-4,7-8,13,17H,5-6,9-12H2
InChIKeyIODZVTDHILBNQA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.75
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine

2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine (PubChem CID 103699309) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine
PubChem CID103699309
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine
SMILESc1ccc2nc(CNCCOCC3CC3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-2-4-16-14(3-1)7-8-15(18-16)11-17-9-10-19-12-13-5-6-13/h1-4,7-8,13,17H,5-6,9-12H2
InChIKeyIODZVTDHILBNQA-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine (CID 103699309) is 2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine is c1ccc2nc(CNCCOCC3CC3)ccc2c1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine?
The InChIKey is IODZVTDHILBNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-4-16-14(3-1)7-8-15(18-16)11-17-9-10-19-12-13-5-6-13/h1-4,7-8,13,17H,5-6,9-12H2.
What are the key properties of 2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine?
2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine is sourced from PubChem (CID 103699309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).