N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine

C22H22N2O — CID 70077042

IUPACN-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine
SMILESCN(Cc1cccc(-c2ccccn2)c1)C1OCCc2ccccc21
InChIInChI=1S/C22H22N2O/c1-24(22-20-10-3-2-8-18(20)12-14-25-22)16-17-7-6-9-19(15-17)21-11-4-5-13-23-21/h2-11,13,15,22H,12,14,16H2,1H3
InChIKeyHSVRKJMWMCFCLF-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.45
Rot. Bonds4

About N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine

N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine (PubChem CID 70077042) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine
PubChem CID70077042
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine
SMILESCN(Cc1cccc(-c2ccccn2)c1)C1OCCc2ccccc21
InChIInChI=1S/C22H22N2O/c1-24(22-20-10-3-2-8-18(20)12-14-25-22)16-17-7-6-9-19(15-17)21-11-4-5-13-23-21/h2-11,13,15,22H,12,14,16H2,1H3
InChIKeyHSVRKJMWMCFCLF-UHFFFAOYSA-N
XLogP4.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine?
The IUPAC name of N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine (CID 70077042) is N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine.
What is the SMILES notation for N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine?
The canonical SMILES for N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine is CN(Cc1cccc(-c2ccccn2)c1)C1OCCc2ccccc21.
What is the InChIKey of N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine?
The InChIKey is HSVRKJMWMCFCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-24(22-20-10-3-2-8-18(20)12-14-25-22)16-17-7-6-9-19(15-17)21-11-4-5-13-23-21/h2-11,13,15,22H,12,14,16H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine?
N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine has a molecular weight of 330.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-isochromen-1-amine is sourced from PubChem (CID 70077042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).