3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol

C15H24N2O — CID 82545798

IUPAC3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
SMILESCc1ccc2c(c1)C(CN)N(CC(C)(C)CO)C2
InChIInChI=1S/C15H24N2O/c1-11-4-5-12-8-17(9-15(2,3)10-18)14(7-16)13(12)6-11/h4-6,14,18H,7-10,16H2,1-3H3
InChIKeyAZUQTEVWPIWMBQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.83
Rot. Bonds4

About 3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol

3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol (PubChem CID 82545798) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
PubChem CID82545798
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
SMILESCc1ccc2c(c1)C(CN)N(CC(C)(C)CO)C2
InChIInChI=1S/C15H24N2O/c1-11-4-5-12-8-17(9-15(2,3)10-18)14(7-16)13(12)6-11/h4-6,14,18H,7-10,16H2,1-3H3
InChIKeyAZUQTEVWPIWMBQ-UHFFFAOYSA-N
XLogP1.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545777
[6-methyl-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545752
3-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
CID 110450072
3-[1-(aminomethyl)-4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
CID 110449948
[6-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545753
2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
CID 82544662
2-[1-(aminomethyl)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-2-methylpropan-1-ol
CID 110450250
[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130741067
3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
CID 82545552
(1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115057920
(3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine
CID 84620108
[6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545334

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol (CID 82545798) is 3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol is Cc1ccc2c(c1)C(CN)N(CC(C)(C)CO)C2.
What is the InChIKey of 3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is AZUQTEVWPIWMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-4-5-12-8-17(9-15(2,3)10-18)14(7-16)13(12)6-11/h4-6,14,18H,7-10,16H2,1-3H3.
What are the key properties of 3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol?
3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 82545798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).