N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine

C18H25NO2 — CID 114745396

IUPACN-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCCC2)C1CC2CCC1O2
InChIInChI=1S/C18H25NO2/c1-2-19-17(15-11-13-8-9-16(15)21-13)14-7-3-5-12-6-4-10-20-18(12)14/h3,5,7,13,15-17,19H,2,4,6,8-11H2,1H3
InChIKeyUBQWNGUBQOURGE-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.23
Rot. Bonds4

About N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine

N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine (PubChem CID 114745396) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
PubChem CID114745396
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCCC2)C1CC2CCC1O2
InChIInChI=1S/C18H25NO2/c1-2-19-17(15-11-13-8-9-16(15)21-13)14-7-3-5-12-6-4-10-20-18(12)14/h3,5,7,13,15-17,19H,2,4,6,8-11H2,1H3
InChIKeyUBQWNGUBQOURGE-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine
CID 81228399
N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105053489
N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 114745087
N-[3,4-dihydro-2H-chromen-8-yl(furan-2-yl)methyl]ethanamine
CID 114745255
N-[2,3-dihydro-1-benzofuran-7-yl(thian-2-yl)methyl]ethanamine
CID 114745936
N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
CID 114744929
N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine
CID 105189400
N-[(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114744924
1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 114746271
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923918
N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine
CID 114745944

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine (CID 114745396) is N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine is CCNC(c1cccc2c1OCCC2)C1CC2CCC1O2.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine?
The InChIKey is UBQWNGUBQOURGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-19-17(15-11-13-8-9-16(15)21-13)14-7-3-5-12-6-4-10-20-18(12)14/h3,5,7,13,15-17,19H,2,4,6,8-11H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine has a molecular weight of 287.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine is sourced from PubChem (CID 114745396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).