1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

C14H19N5O — CID 107049572

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)C1COc2ccccc2C1
InChIInChI=1S/C14H19N5O/c1-15-12(8-14-16-18-19(2)17-14)11-7-10-5-3-4-6-13(10)20-9-11/h3-6,11-12,15H,7-9H2,1-2H3
InChIKeyPMCAOWOHMVRBQF-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.59
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107049572) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107049572
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)C1COc2ccccc2C1
InChIInChI=1S/C14H19N5O/c1-15-12(8-14-16-18-19(2)17-14)11-7-10-5-3-4-6-13(10)20-9-11/h3-6,11-12,15H,7-9H2,1-2H3
InChIKeyPMCAOWOHMVRBQF-UHFFFAOYSA-N
XLogP0.59
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049477
1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107048079
1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65410299
[2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]hydrazine
CID 107066175
[1-(3,4-dihydro-2H-chromen-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105234006
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064792
2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 107049596
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-phenylethanamine
CID 65410502
1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine
CID 79180443
1-(3,4-dihydro-2H-chromen-3-yl)hexylhydrazine
CID 105234038
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65410695
1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65411667

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107049572) is 1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is CNC(Cc1nnn(C)n1)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is PMCAOWOHMVRBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-15-12(8-14-16-18-19(2)17-14)11-7-10-5-3-4-6-13(10)20-9-11/h3-6,11-12,15H,7-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 273.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107049572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).