8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine

C15H19N3O2 — CID 45249546

IUPAC8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OCC(NCc1cnc(C)[nH]1)C2
InChIInChI=1S/C15H19N3O2/c1-10-16-7-13(18-10)8-17-12-6-11-4-3-5-14(19-2)15(11)20-9-12/h3-5,7,12,17H,6,8-9H2,1-2H3,(H,16,18)
InChIKeyDDMGNWIUDBEZGZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.82
Rot. Bonds4

About 8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine

8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 45249546) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID45249546
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OCC(NCc1cnc(C)[nH]1)C2
InChIInChI=1S/C15H19N3O2/c1-10-16-7-13(18-10)8-17-12-6-11-4-3-5-14(19-2)15(11)20-9-12/h3-5,7,12,17H,6,8-9H2,1-2H3,(H,16,18)
InChIKeyDDMGNWIUDBEZGZ-UHFFFAOYSA-N
XLogP1.82
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 31017822
(3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
CID 28851098
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol
CID 45219852
8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45249758
(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 92693113
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
CID 163313873
(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 99778884
8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 86806743
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 75099786
3-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]-1-methylquinolin-2-one
CID 131900980

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine (CID 45249546) is 8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1OCC(NCc1cnc(C)[nH]1)C2.
What is the InChIKey of 8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is DDMGNWIUDBEZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-16-7-13(18-10)8-17-12-6-11-4-3-5-14(19-2)15(11)20-9-12/h3-5,7,12,17H,6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine?
8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 273.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 45249546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).