1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol

C13H20N2O — CID 82545732

IUPAC1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
SMILESCc1cccc2c1CN(CC(C)O)C2CN
InChIInChI=1S/C13H20N2O/c1-9-4-3-5-11-12(9)8-15(7-10(2)16)13(11)6-14/h3-5,10,13,16H,6-8,14H2,1-2H3
InChIKeyOBLFTKFGRABDHQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.19
Rot. Bonds3

About 1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol

1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol (PubChem CID 82545732) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
PubChem CID82545732
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
SMILESCc1cccc2c1CN(CC(C)O)C2CN
InChIInChI=1S/C13H20N2O/c1-9-4-3-5-11-12(9)8-15(7-10(2)16)13(11)6-14/h3-5,10,13,16H,6-8,14H2,1-2H3
InChIKeyOBLFTKFGRABDHQ-UHFFFAOYSA-N
XLogP1.19
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82544805
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
1-[1-(aminomethyl)-4,6-difluoro-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82545074
[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545690
1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine
CID 82544961
(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545740
4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol
CID 82545707
(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545658
(4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545722
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545681
3-[1-(aminomethyl)-4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
CID 110449948
2-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]butan-1-ol
CID 82545189

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol (CID 82545732) is 1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol is Cc1cccc2c1CN(CC(C)O)C2CN.
What is the InChIKey of 1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol?
The InChIKey is OBLFTKFGRABDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-3-5-11-12(9)8-15(7-10(2)16)13(11)6-14/h3-5,10,13,16H,6-8,14H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol?
1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol has a molecular weight of 220.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol is sourced from PubChem (CID 82545732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).