3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete

C15H19NO — CID 143711024

IUPAC3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete
SMILESCC1(C)NC=C1CC1COc2ccccc2C1
InChIInChI=1S/C15H19NO/c1-15(2)13(9-16-15)8-11-7-12-5-3-4-6-14(12)17-10-11/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeySSRPGMVMLWKMQG-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.89
Rot. Bonds2

About 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete

3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete (PubChem CID 143711024) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete
PubChem CID143711024
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete
SMILESCC1(C)NC=C1CC1COc2ccccc2C1
InChIInChI=1S/C15H19NO/c1-15(2)13(9-16-15)8-11-7-12-5-3-4-6-14(12)17-10-11/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeySSRPGMVMLWKMQG-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-chromen-3-ylmethyl)pyridine
CID 72893239
2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine
CID 97125876
3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,6-dimethylpyridine
CID 72872119
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505
2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine
CID 97130017
3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine
CID 72868078
5-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine
CID 97146960
3-pent-4-enyl-3,4-dihydro-2H-chromene
CID 163719188
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 143328433
6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine
CID 97124629
2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete (CID 143711024) is 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete is CC1(C)NC=C1CC1COc2ccccc2C1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete?
The InChIKey is SSRPGMVMLWKMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2)13(9-16-15)8-11-7-12-5-3-4-6-14(12)17-10-11/h3-6,9,11,16H,7-8,10H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete?
3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete has a molecular weight of 229.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete is sourced from PubChem (CID 143711024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).