N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C16H21NO2 — CID 115757137

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESc1ccc2c(c1)OCCC2CNC1CC2CCC1O2
InChIInChI=1S/C16H21NO2/c1-2-4-15-13(3-1)11(7-8-18-15)10-17-14-9-12-5-6-16(14)19-12/h1-4,11-12,14,16-17H,5-10H2
InChIKeyZJBVXRZKHZLPRU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.46
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 115757137) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID115757137
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESc1ccc2c(c1)OCCC2CNC1CC2CCC1O2
InChIInChI=1S/C16H21NO2/c1-2-4-15-13(3-1)11(7-8-18-15)10-17-14-9-12-5-6-16(14)19-12/h1-4,11-12,14,16-17H,5-10H2
InChIKeyZJBVXRZKHZLPRU-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 104768322
2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine
CID 106365134
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 104768239
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 75428071
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine
CID 115653655
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 115757137) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine is c1ccc2c(c1)OCCC2CNC1CC2CCC1O2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZJBVXRZKHZLPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-4-15-13(3-1)11(7-8-18-15)10-17-14-9-12-5-6-16(14)19-12/h1-4,11-12,14,16-17H,5-10H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.46, 3 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-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115757137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).