1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

C15H19N3O — CID 115618961

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCC1CCOc2ccccc21
InChIInChI=1S/C15H19N3O/c1-18-8-7-17-15(18)11-16-10-12-6-9-19-14-5-3-2-4-13(12)14/h2-5,7-8,12,16H,6,9-11H2,1H3
InChIKeyKHCGJDUQBVEWHS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.08
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 115618961) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID115618961
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCC1CCOc2ccccc21
InChIInChI=1S/C15H19N3O/c1-18-8-7-17-15(18)11-16-10-12-6-9-19-14-5-3-2-4-13(12)14/h2-5,7-8,12,16H,6,9-11H2,1H3
InChIKeyKHCGJDUQBVEWHS-UHFFFAOYSA-N
XLogP2.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 104769087
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 115618954
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 104770067
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104768313
1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106833897
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole
CID 104771550
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 79230369
1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530339
[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol
CID 107230849
N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 47038296
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 115618961) is 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is Cn1ccnc1CNCC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is KHCGJDUQBVEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-8-7-17-15(18)11-16-10-12-6-9-19-14-5-3-2-4-13(12)14/h2-5,7-8,12,16H,6,9-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 115618961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).