N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine

C11H16N2 — CID 175530857

IUPACN-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine
SMILESCNCc1cccc2c1CN(C)C2
InChIInChI=1S/C11H16N2/c1-12-6-9-4-3-5-10-7-13(2)8-11(9)10/h3-5,12H,6-8H2,1-2H3
InChIKeyANVWKEQHDKBCSR-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.35
Rot. Bonds2

About N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine

N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine (PubChem CID 175530857) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine
PubChem CID175530857
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine
SMILESCNCc1cccc2c1CN(C)C2
InChIInChI=1S/C11H16N2/c1-12-6-9-4-3-5-10-7-13(2)8-11(9)10/h3-5,12H,6-8H2,1-2H3
InChIKeyANVWKEQHDKBCSR-UHFFFAOYSA-N
XLogP1.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isoindoline
CID 422478
Diphenyl isoindoline
CID 606734
N-Methyl-4-(pyrrolidin-1-ylmethyl)benzylamine
CID 18525869
Methyl((2-methylphenyl)methyl)amine
CID 263103
2-(1-Methyl-2-phenylethyl)isoindoline
CID 6618797
2,3-dihydro-1H-isoindole hydrochloride
CID 12311031
2-(2-(Diethylamino)ethyl)-isoindoline
CID 52573
[3-(Pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 4712478
(9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene
CID 15628834
1,3-Diphenyl-2,3-dihydro-1H-isoindole
CID 44361004
N-[2-(aminomethyl)benzyl]-N,N-dimethylamine
CID 4962718
2-Hexylisoindoline hydrobromide
CID 6602811

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine (CID 175530857) is N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine is CNCc1cccc2c1CN(C)C2.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine?
The InChIKey is ANVWKEQHDKBCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-12-6-9-4-3-5-10-7-13(2)8-11(9)10/h3-5,12H,6-8H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine?
N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine has a molecular weight of 176.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine is sourced from PubChem (CID 175530857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).