N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine

C16H18N2 — CID 145346686

IUPACN-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine
SMILESCc1ccc(N(C)c2ccc3c(c2)CNC3)cc1
InChIInChI=1S/C16H18N2/c1-12-3-6-15(7-4-12)18(2)16-8-5-13-10-17-11-14(13)9-16/h3-9,17H,10-11H2,1-2H3
InChIKeyYIHHLGVUVHGGNR-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.37
Rot. Bonds2

About N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine

N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine (PubChem CID 145346686) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine
PubChem CID145346686
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine
SMILESCc1ccc(N(C)c2ccc3c(c2)CNC3)cc1
InChIInChI=1S/C16H18N2/c1-12-3-6-15(7-4-12)18(2)16-8-5-13-10-17-11-14(13)9-16/h3-9,17H,10-11H2,1-2H3
InChIKeyYIHHLGVUVHGGNR-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine?
The IUPAC name of N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine (CID 145346686) is N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine is Cc1ccc(N(C)c2ccc3c(c2)CNC3)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine?
The InChIKey is YIHHLGVUVHGGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-3-6-15(7-4-12)18(2)16-8-5-13-10-17-11-14(13)9-16/h3-9,17H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine?
N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine has a molecular weight of 238.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-2,3-dihydro-1H-isoindol-5-amine is sourced from PubChem (CID 145346686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).