N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine

C16H18N2O — CID 60857681

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ncccc1CNC1CCc2ccccc21
InChIInChI=1S/C16H18N2O/c1-19-16-13(6-4-10-17-16)11-18-15-9-8-12-5-2-3-7-14(12)15/h2-7,10,15,18H,8-9,11H2,1H3
InChIKeyVRNGZNRRIQFOKS-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.87
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine

N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 60857681) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID60857681
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ncccc1CNC1CCc2ccccc21
InChIInChI=1S/C16H18N2O/c1-19-16-13(6-4-10-17-16)11-18-15-9-8-12-5-2-3-7-14(12)15/h2-7,10,15,18H,8-9,11H2,1H3
InChIKeyVRNGZNRRIQFOKS-UHFFFAOYSA-N
XLogP2.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 60857681) is N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine is COc1ncccc1CNC1CCc2ccccc21.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VRNGZNRRIQFOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-16-13(6-4-10-17-16)11-18-15-9-8-12-5-2-3-7-14(12)15/h2-7,10,15,18H,8-9,11H2,1H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 254.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 60857681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).