1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine

C14H19NO — CID 117309867

IUPAC1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine
SMILESCC1CCc2c(CC3(N)CC3)cccc2O1
InChIInChI=1S/C14H19NO/c1-10-5-6-12-11(9-14(15)7-8-14)3-2-4-13(12)16-10/h2-4,10H,5-9,15H2,1H3
InChIKeyLUJDMBAHNONCSS-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.43
Rot. Bonds2

About 1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine

1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine (PubChem CID 117309867) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine
PubChem CID117309867
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine
SMILESCC1CCc2c(CC3(N)CC3)cccc2O1
InChIInChI=1S/C14H19NO/c1-10-5-6-12-11(9-14(15)7-8-14)3-2-4-13(12)16-10/h2-4,10H,5-9,15H2,1H3
InChIKeyLUJDMBAHNONCSS-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine (CID 117309867) is 1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine is CC1CCc2c(CC3(N)CC3)cccc2O1.
What is the InChIKey of 1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is LUJDMBAHNONCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-5-6-12-11(9-14(15)7-8-14)3-2-4-13(12)16-10/h2-4,10H,5-9,15H2,1H3.
What are the key properties of 1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine?
1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-3,4-dihydro-2H-chromen-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117309867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).