N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

C18H22N2O — CID 82797013

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCOc1ncccc1CNC1c2ccccc2CC1(C)C
InChIInChI=1S/C18H22N2O/c1-18(2)11-13-7-4-5-9-15(13)16(18)20-12-14-8-6-10-19-17(14)21-3/h4-10,16,20H,11-12H2,1-3H3
InChIKeyUHPMVSNNFKTKOU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.50
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82797013) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82797013
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCOc1ncccc1CNC1c2ccccc2CC1(C)C
InChIInChI=1S/C18H22N2O/c1-18(2)11-13-7-4-5-9-15(13)16(18)20-12-14-8-6-10-19-17(14)21-3/h4-10,16,20H,11-12H2,1-3H3
InChIKeyUHPMVSNNFKTKOU-UHFFFAOYSA-N
XLogP3.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.50
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]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82797013) is N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is COc1ncccc1CNC1c2ccccc2CC1(C)C.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is UHPMVSNNFKTKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2)11-13-7-4-5-9-15(13)16(18)20-12-14-8-6-10-19-17(14)21-3/h4-10,16,20H,11-12H2,1-3H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.50, 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]-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82797013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).