2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine

C13H19NO — CID 105426400

IUPAC2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc2c(c1)OCCC2
InChIInChI=1S/C13H19NO/c1-13(2,9-14)11-6-5-10-4-3-7-15-12(10)8-11/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyGZEJBOGRQAZJPI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.25
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine

2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine (PubChem CID 105426400) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine
PubChem CID105426400
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc2c(c1)OCCC2
InChIInChI=1S/C13H19NO/c1-13(2,9-14)11-6-5-10-4-3-7-15-12(10)8-11/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyGZEJBOGRQAZJPI-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine (CID 105426400) is 2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine is CC(C)(CN)c1ccc2c(c1)OCCC2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine?
The InChIKey is GZEJBOGRQAZJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,9-14)11-6-5-10-4-3-7-15-12(10)8-11/h5-6,8H,3-4,7,9,14H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine?
2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 105426400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).