1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine

C18H19NO2 — CID 63731423

IUPAC1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESNC(c1ccc2c(c1)COC2)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H19NO2/c19-18(13-3-4-15-10-20-11-16(15)9-13)14-5-6-17-12(8-14)2-1-7-21-17/h3-6,8-9,18H,1-2,7,10-11,19H2
InChIKeyMORAIKKHWIHTHQ-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.09
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine

1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine (PubChem CID 63731423) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
PubChem CID63731423
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESNC(c1ccc2c(c1)COC2)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H19NO2/c19-18(13-3-4-15-10-20-11-16(15)9-13)14-5-6-17-12(8-14)2-1-7-21-17/h3-6,8-9,18H,1-2,7,10-11,19H2
InChIKeyMORAIKKHWIHTHQ-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
CID 79693199
[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 116936978
(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026960
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033357
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 62275925
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027758
(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027221
(4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026459
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine (CID 63731423) is 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine is NC(c1ccc2c(c1)COC2)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine?
The InChIKey is MORAIKKHWIHTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c19-18(13-3-4-15-10-20-11-16(15)9-13)14-5-6-17-12(8-14)2-1-7-21-17/h3-6,8-9,18H,1-2,7,10-11,19H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine?
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine has a molecular weight of 281.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine is sourced from PubChem (CID 63731423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).