N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C17H19NO2 — CID 12851988

IUPACN-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NCc1ccccc1)CCO2
InChIInChI=1S/C17H19NO2/c1-19-14-7-8-17-15(11-14)16(9-10-20-17)18-12-13-5-3-2-4-6-13/h2-8,11,16,18H,9-10,12H2,1H3
InChIKeyKFGACUPDHORNFY-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.31
Rot. Bonds4

About N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine

N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 12851988) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID12851988
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NCc1ccccc1)CCO2
InChIInChI=1S/C17H19NO2/c1-19-14-7-8-17-15(11-14)16(9-10-20-17)18-12-13-5-3-2-4-6-13/h2-8,11,16,18H,9-10,12H2,1H3
InChIKeyKFGACUPDHORNFY-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 12851988) is N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(NCc1ccccc1)CCO2.
What is the InChIKey of N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KFGACUPDHORNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-14-7-8-17-15(11-14)16(9-10-20-17)18-12-13-5-3-2-4-6-13/h2-8,11,16,18H,9-10,12H2,1H3.
What are the key properties of N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 269.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 12851988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).