N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine

C16H18N2 — CID 117006133

IUPACN-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine
SMILESCNc1cccc2c1CN(c1cccc(C)c1)C2
InChIInChI=1S/C16H18N2/c1-12-5-3-7-14(9-12)18-10-13-6-4-8-16(17-2)15(13)11-18/h3-9,17H,10-11H2,1-2H3
InChIKeyCQIORXMVAXHPOI-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.56
Rot. Bonds2

About N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine

N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine (PubChem CID 117006133) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine
PubChem CID117006133
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine
SMILESCNc1cccc2c1CN(c1cccc(C)c1)C2
InChIInChI=1S/C16H18N2/c1-12-5-3-7-14(9-12)18-10-13-6-4-8-16(17-2)15(13)11-18/h3-9,17H,10-11H2,1-2H3
InChIKeyCQIORXMVAXHPOI-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[4-(methylamino)-1,3-dihydroisoindol-2-yl]phenyl]ethanone
CID 117006160
2-(2-bromo-4-methylphenyl)-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006165
2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006148
2-(2-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006147
5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 148776849
2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006157
N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 112722053
3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine
CID 45104990
3-(3-methylphenyl)-3,6-diazabicyclo[3.1.1]heptane
CID 84770848
7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 129223538
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
2-(3-methylphenyl)-1H-phthalazine
CID 71560617

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine (CID 117006133) is N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine is CNc1cccc2c1CN(c1cccc(C)c1)C2.
What is the InChIKey of N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is CQIORXMVAXHPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-5-3-7-14(9-12)18-10-13-6-4-8-16(17-2)15(13)11-18/h3-9,17H,10-11H2,1-2H3.
What are the key properties of N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine?
N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 238.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 117006133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).