N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine

C16H21N3O — CID 104769087

IUPACN-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1CC1CCOc2ccccc21
InChIInChI=1S/C16H21N3O/c1-2-17-11-16-18-8-9-19(16)12-13-7-10-20-15-6-4-3-5-14(13)15/h3-6,8-9,13,17H,2,7,10-12H2,1H3
InChIKeyBQOKGKWYYHXEGJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds5

About N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine

N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine (PubChem CID 104769087) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine
PubChem CID104769087
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1CC1CCOc2ccccc21
InChIInChI=1S/C16H21N3O/c1-2-17-11-16-18-8-9-19(16)12-13-7-10-20-15-6-4-3-5-14(13)15/h3-6,8-9,13,17H,2,7,10-12H2,1H3
InChIKeyBQOKGKWYYHXEGJ-UHFFFAOYSA-N
XLogP2.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]ethanamine
CID 104771079
1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde
CID 104769066
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115618961
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole
CID 104771549
ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate
CID 102604479
3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone
CID 65406612
1-(3,4-dihydro-2H-chromen-4-yl)-3-(ethylamino)-2-methylpropan-2-ol
CID 113451561
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 104770067
methyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 104768768
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine (CID 104769087) is N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1CC1CCOc2ccccc21.
What is the InChIKey of N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine?
The InChIKey is BQOKGKWYYHXEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-17-11-16-18-8-9-19(16)12-13-7-10-20-15-6-4-3-5-14(13)15/h3-6,8-9,13,17H,2,7,10-12H2,1H3.
What are the key properties of N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine?
N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 104769087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).