N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine

C15H21NO2 — CID 43512662

IUPACN-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCc1ccc2c(c1)C(NC1CC1)CCO2
InChIInChI=1S/C15H21NO2/c1-17-8-6-11-2-5-15-13(10-11)14(7-9-18-15)16-12-3-4-12/h2,5,10,12,14,16H,3-4,6-9H2,1H3
InChIKeyNBSMCOSRPMHIQT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.45
Rot. Bonds5

About N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine

N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43512662) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43512662
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCc1ccc2c(c1)C(NC1CC1)CCO2
InChIInChI=1S/C15H21NO2/c1-17-8-6-11-2-5-15-13(10-11)14(7-9-18-15)16-12-3-4-12/h2,5,10,12,14,16H,3-4,6-9H2,1H3
InChIKeyNBSMCOSRPMHIQT-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine (CID 43512662) is N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine is COCCc1ccc2c(c1)C(NC1CC1)CCO2.
What is the InChIKey of N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NBSMCOSRPMHIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-8-6-11-2-5-15-13(10-11)14(7-9-18-15)16-12-3-4-12/h2,5,10,12,14,16H,3-4,6-9H2,1H3.
What are the key properties of N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine?
N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43512662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).