3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine

C17H25NO2 — CID 105049243

IUPAC3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)c2cccc3c2OCCC3)C1C
InChIInChI=1S/C17H25NO2/c1-10-11(2)20-12(3)15(10)16(18)14-8-4-6-13-7-5-9-19-17(13)14/h4,6,8,10-12,15-16H,5,7,9,18H2,1-3H3
InChIKeyPLNBIOWLMXWTAW-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.07
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine

3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 105049243) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID105049243
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)c2cccc3c2OCCC3)C1C
InChIInChI=1S/C17H25NO2/c1-10-11(2)20-12(3)15(10)16(18)14-8-4-6-13-7-5-9-19-17(13)14/h4,6,8,10-12,15-16H,5,7,9,18H2,1-3H3
InChIKeyPLNBIOWLMXWTAW-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
CID 105049301
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-(4-methylmorpholin-2-yl)methanamine
CID 114745734
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanamine
CID 105049108
2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187280
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine
CID 114745190
1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine
CID 114746628

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 105049243) is 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine is CC1OC(C)C(C(N)c2cccc3c2OCCC3)C1C.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is PLNBIOWLMXWTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-10-11(2)20-12(3)15(10)16(18)14-8-4-6-13-7-5-9-19-17(13)14/h4,6,8,10-12,15-16H,5,7,9,18H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 3.07, 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-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105049243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).