N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine

C15H22N2O — CID 82163765

IUPACN-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine
SMILESCNCc1ccc2c(c1)CN(CC1CCCO1)C2
InChIInChI=1S/C15H22N2O/c1-16-8-12-4-5-13-9-17(10-14(13)7-12)11-15-3-2-6-18-15/h4-5,7,15-16H,2-3,6,8-11H2,1H3
InChIKeyUFAXUPNBNRYZGR-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine

N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine (PubChem CID 82163765) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine
PubChem CID82163765
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine
SMILESCNCc1ccc2c(c1)CN(CC1CCCO1)C2
InChIInChI=1S/C15H22N2O/c1-16-8-12-4-5-13-9-17(10-14(13)7-12)11-15-3-2-6-18-15/h4-5,7,15-16H,2-3,6,8-11H2,1H3
InChIKeyUFAXUPNBNRYZGR-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-ylmethyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163482
N-methyl-1-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]methanamine
CID 66404891
4-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]butan-1-ol
CID 82163786
1-[4-[[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methylsulfonyl]phenyl]-3-(1-phenylethyl)urea
CID 130447672
1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine
CID 106496521
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
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55228585
6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82524714
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 62096486
N-methyl-1-[3-(oxan-2-ylmethylsulfanyl)phenyl]methanamine
CID 66346845
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine (CID 82163765) is N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine is CNCc1ccc2c(c1)CN(CC1CCCO1)C2.
What is the InChIKey of N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine?
The InChIKey is UFAXUPNBNRYZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-8-12-4-5-13-9-17(10-14(13)7-12)11-15-3-2-6-18-15/h4-5,7,15-16H,2-3,6,8-11H2,1H3.
What are the key properties of N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine?
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine has a molecular weight of 246.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine is sourced from PubChem (CID 82163765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).