1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine

C16H21N3O — CID 65410669

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
SMILESCCn1ccnc1C(NC)C1CCOc2ccccc21
InChIInChI=1S/C16H21N3O/c1-3-19-10-9-18-16(19)15(17-2)13-8-11-20-14-7-5-4-6-12(13)14/h4-7,9-10,13,15,17H,3,8,11H2,1-2H3
InChIKeyTVVZEMDZYKINRL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.73
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine

1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine (PubChem CID 65410669) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
PubChem CID65410669
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
SMILESCCn1ccnc1C(NC)C1CCOc2ccccc21
InChIInChI=1S/C16H21N3O/c1-3-19-10-9-18-16(19)15(17-2)13-8-11-20-14-7-5-4-6-12(13)14/h4-7,9-10,13,15,17H,3,8,11H2,1-2H3
InChIKeyTVVZEMDZYKINRL-UHFFFAOYSA-N
XLogP2.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole
CID 104771549
1-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409875
1-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 65412626
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 114655760
1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 79723538
1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 63710100
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 104770067
N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 104769087
1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530339
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole
CID 104771550
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 79974244
1-(1-ethylimidazol-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65423382

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine (CID 65410669) is 1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine is CCn1ccnc1C(NC)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
The InChIKey is TVVZEMDZYKINRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-19-10-9-18-16(19)15(17-2)13-8-11-20-14-7-5-4-6-12(13)14/h4-7,9-10,13,15,17H,3,8,11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.73, 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)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 65410669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).