1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine

C14H22N2 — CID 82163744

IUPAC1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine
SMILESCNCc1ccc2c(c1)CN(C(C)(C)C)C2
InChIInChI=1S/C14H22N2/c1-14(2,3)16-9-12-6-5-11(8-15-4)7-13(12)10-16/h5-7,15H,8-10H2,1-4H3
InChIKeyARPCPHVNELSJRT-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.52
Rot. Bonds2

About 1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine

1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine (PubChem CID 82163744) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine
PubChem CID82163744
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine
SMILESCNCc1ccc2c(c1)CN(C(C)(C)C)C2
InChIInChI=1S/C14H22N2/c1-14(2,3)16-9-12-6-5-11(8-15-4)7-13(12)10-16/h5-7,15H,8-10H2,1-4H3
InChIKeyARPCPHVNELSJRT-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(methylaminomethyl)-1,3-dihydroisoindole-2-carbaldehyde
CID 175530808
1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine
CID 82163792
4-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]butan-1-ol
CID 82163786
1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine
CID 82163795
5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol
CID 82163784
1-[4-[(4-tert-butylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62463358
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine
CID 82163765
(2-methyl-1,3-dihydroisoindol-5-yl)methanamine
CID 82502825
1-methyl-6-(methylaminomethyl)-3H-indol-2-one
CID 82603428
N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide
CID 21050646
2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole
CID 167042846
N-methyl-1-[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine
CID 115105770

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine (CID 82163744) is 1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine is CNCc1ccc2c(c1)CN(C(C)(C)C)C2.
What is the InChIKey of 1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine?
The InChIKey is ARPCPHVNELSJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)16-9-12-6-5-11(8-15-4)7-13(12)10-16/h5-7,15H,8-10H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine?
1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 82163744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).