N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine

C13H15N3O — CID 63927592

IUPACN-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine
SMILESCCNCc1nc2c([nH]1)COc1ccccc1-2
InChIInChI=1S/C13H15N3O/c1-2-14-7-12-15-10-8-17-11-6-4-3-5-9(11)13(10)16-12/h3-6,14H,2,7-8H2,1H3,(H,15,16)
InChIKeyFEACTDBCRRBZPO-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.08
Rot. Bonds3

About N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine

N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine (PubChem CID 63927592) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine
PubChem CID63927592
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine
SMILESCCNCc1nc2c([nH]1)COc1ccccc1-2
InChIInChI=1S/C13H15N3O/c1-2-14-7-12-15-10-8-17-11-6-4-3-5-9(11)13(10)16-12/h3-6,14H,2,7-8H2,1H3,(H,15,16)
InChIKeyFEACTDBCRRBZPO-UHFFFAOYSA-N
XLogP2.08
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine?
The IUPAC name of N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine (CID 63927592) is N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine?
The canonical SMILES for N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine is CCNCc1nc2c([nH]1)COc1ccccc1-2.
What is the InChIKey of N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine?
The InChIKey is FEACTDBCRRBZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-14-7-12-15-10-8-17-11-6-4-3-5-9(11)13(10)16-12/h3-6,14H,2,7-8H2,1H3,(H,15,16).
What are the key properties of N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine?
N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine has a molecular weight of 229.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 63927592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).