2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine

C14H20N2O2 — CID 21309100

IUPAC2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine
SMILESCOc1ccc2c(c1)[C@@H]1CN(CCN)C[C@@H]1CO2
InChIInChI=1S/C14H20N2O2/c1-17-11-2-3-14-12(6-11)13-8-16(5-4-15)7-10(13)9-18-14/h2-3,6,10,13H,4-5,7-9,15H2,1H3/t10-,13-/m1/s1
InChIKeyYEBQJPPCQMTNDM-ZWNOBZJWSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds3

About 2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine

2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine (PubChem CID 21309100) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine
PubChem CID21309100
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine
SMILESCOc1ccc2c(c1)[C@@H]1CN(CCN)C[C@@H]1CO2
InChIInChI=1S/C14H20N2O2/c1-17-11-2-3-14-12(6-11)13-8-16(5-4-15)7-10(13)9-18-14/h2-3,6,10,13H,4-5,7-9,15H2,1H3/t10-,13-/m1/s1
InChIKeyYEBQJPPCQMTNDM-ZWNOBZJWSA-N
XLogP1.06
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine 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-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine
CID 178102600
4-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpiperidine
CID 178102409
2-[[4-[2-(4-methoxyphenyl)ethyl]phenyl]methyl]-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile;hydrochloride
CID 22622684
5-[2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]-8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 21308950
(3aR,9bS)-2-[[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile
CID 70161590
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
(3aS,9bR)-2-[[4-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile;hydrochloride
CID 70161592
(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603956
6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188264
(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran
CID 125488470
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine (CID 21309100) is 2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine is COc1ccc2c(c1)[C@@H]1CN(CCN)C[C@@H]1CO2.
What is the InChIKey of 2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine?
The InChIKey is YEBQJPPCQMTNDM-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-11-2-3-14-12(6-11)13-8-16(5-4-15)7-10(13)9-18-14/h2-3,6,10,13H,4-5,7-9,15H2,1H3/t10-,13-/m1/s1.
What are the key properties of 2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine?
2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 21309100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).