3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine

C15H21NO2 — CID 105049301

IUPAC3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
SMILESCC1CCOC1C(N)c1cccc2c1OCCC2
InChIInChI=1S/C15H21NO2/c1-10-7-9-18-14(10)13(16)12-6-2-4-11-5-3-8-17-15(11)12/h2,4,6,10,13-14H,3,5,7-9,16H2,1H3
InChIKeyNBMYZNVJADXXBL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.44
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine

3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine (PubChem CID 105049301) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
PubChem CID105049301
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
SMILESCC1CCOC1C(N)c1cccc2c1OCCC2
InChIInChI=1S/C15H21NO2/c1-10-7-9-18-14(10)13(16)12-6-2-4-11-5-3-8-17-15(11)12/h2,4,6,10,13-14H,3,5,7-9,16H2,1H3
InChIKeyNBMYZNVJADXXBL-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol
CID 115837861
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine
CID 114745561
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105049243
3,4-dihydro-2H-chromen-8-yl-(4-methylmorpholin-2-yl)methanamine
CID 114745734
2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187280
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanamine
CID 105049108
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine
CID 114745190
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine (CID 105049301) is 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine is CC1CCOC1C(N)c1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine?
The InChIKey is NBMYZNVJADXXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-7-9-18-14(10)13(16)12-6-2-4-11-5-3-8-17-15(11)12/h2,4,6,10,13-14H,3,5,7-9,16H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine?
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105049301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).