[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine

C17H20N2O2 — CID 72925262

IUPAC[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine
SMILESCOc1ccc2c(c1)OCC(Cc1ccc(CN)cn1)C2
InChIInChI=1S/C17H20N2O2/c1-20-16-5-3-14-6-13(11-21-17(14)8-16)7-15-4-2-12(9-18)10-19-15/h2-5,8,10,13H,6-7,9,11,18H2,1H3
InChIKeyNBHKBHBIAGKSHL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.34
Rot. Bonds4

About [6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine

[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine (PubChem CID 72925262) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine
PubChem CID72925262
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine
SMILESCOc1ccc2c(c1)OCC(Cc1ccc(CN)cn1)C2
InChIInChI=1S/C17H20N2O2/c1-20-16-5-3-14-6-13(11-21-17(14)8-16)7-15-4-2-12(9-18)10-19-15/h2-5,8,10,13H,6-7,9,11,18H2,1H3
InChIKeyNBHKBHBIAGKSHL-UHFFFAOYSA-N
XLogP2.34
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine (CID 72925262) is [6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine is COc1ccc2c(c1)OCC(Cc1ccc(CN)cn1)C2.
What is the InChIKey of [6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine?
The InChIKey is NBHKBHBIAGKSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-16-5-3-14-6-13(11-21-17(14)8-16)7-15-4-2-12(9-18)10-19-15/h2-5,8,10,13H,6-7,9,11,18H2,1H3.
What are the key properties of [6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine?
[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine has a molecular weight of 284.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 72925262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).