1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine

C15H21NO — CID 117335065

IUPAC1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine
SMILESCC1CCc2cc(C3(C(C)N)CC3)ccc2O1
InChIInChI=1S/C15H21NO/c1-10-3-4-12-9-13(5-6-14(12)17-10)15(7-8-15)11(2)16/h5-6,9-11H,3-4,7-8,16H2,1-2H3
InChIKeyKRIJXSVOUKXPSM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.78
Rot. Bonds2

About 1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine

1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine (PubChem CID 117335065) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine
PubChem CID117335065
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine
SMILESCC1CCc2cc(C3(C(C)N)CC3)ccc2O1
InChIInChI=1S/C15H21NO/c1-10-3-4-12-9-13(5-6-14(12)17-10)15(7-8-15)11(2)16/h5-6,9-11H,3-4,7-8,16H2,1-2H3
InChIKeyKRIJXSVOUKXPSM-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine (CID 117335065) is 1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine is CC1CCc2cc(C3(C(C)N)CC3)ccc2O1.
What is the InChIKey of 1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine?
The InChIKey is KRIJXSVOUKXPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-3-4-12-9-13(5-6-14(12)17-10)15(7-8-15)11(2)16/h5-6,9-11H,3-4,7-8,16H2,1-2H3.
What are the key properties of 1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine?
1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117335065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).