3-benzyl-2,4-dihydrochromen-3-amine

C16H17NO — CID 65422673

IUPAC3-benzyl-2,4-dihydrochromen-3-amine
SMILESNC1(Cc2ccccc2)COc2ccccc2C1
InChIInChI=1S/C16H17NO/c17-16(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)18-12-16/h1-9H,10-12,17H2
InChIKeyXKOQBNRVFIUUAC-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.56
Rot. Bonds2

About 3-benzyl-2,4-dihydrochromen-3-amine

3-benzyl-2,4-dihydrochromen-3-amine (PubChem CID 65422673) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-benzyl-2,4-dihydrochromen-3-amine.

Molecular Properties

Compound Name3-benzyl-2,4-dihydrochromen-3-amine
PubChem CID65422673
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-benzyl-2,4-dihydrochromen-3-amine
SMILESNC1(Cc2ccccc2)COc2ccccc2C1
InChIInChI=1S/C16H17NO/c17-16(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)18-12-16/h1-9H,10-12,17H2
InChIKeyXKOQBNRVFIUUAC-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,4-dihydrochromen-3-amine?
The IUPAC name of 3-benzyl-2,4-dihydrochromen-3-amine (CID 65422673) is 3-benzyl-2,4-dihydrochromen-3-amine.
What is the SMILES notation for 3-benzyl-2,4-dihydrochromen-3-amine?
The canonical SMILES for 3-benzyl-2,4-dihydrochromen-3-amine is NC1(Cc2ccccc2)COc2ccccc2C1.
What is the InChIKey of 3-benzyl-2,4-dihydrochromen-3-amine?
The InChIKey is XKOQBNRVFIUUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c17-16(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)18-12-16/h1-9H,10-12,17H2.
What are the key properties of 3-benzyl-2,4-dihydrochromen-3-amine?
3-benzyl-2,4-dihydrochromen-3-amine has a molecular weight of 239.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,4-dihydrochromen-3-amine is sourced from PubChem (CID 65422673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).