2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine

C15H22N2O — CID 63741473

IUPAC2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine
SMILESNCC(C1CCCOC1)N1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O/c16-8-15(14-6-3-7-18-11-14)17-9-12-4-1-2-5-13(12)10-17/h1-2,4-5,14-15H,3,6-11,16H2
InChIKeyOOXRJBFDMVZDKP-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.76
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine

2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine (PubChem CID 63741473) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine
PubChem CID63741473
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine
SMILESNCC(C1CCCOC1)N1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O/c16-8-15(14-6-3-7-18-11-14)17-9-12-4-1-2-5-13(12)10-17/h1-2,4-5,14-15H,3,6-11,16H2
InChIKeyOOXRJBFDMVZDKP-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2-trifluoromethyl-benzyl)-amine
CID 11301893
biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 11450539
(R)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441340
(S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441341
(2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 44441351
N-[(2,3-dimethylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 16730430
N-[(2-methylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127051504
N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69145125
(3S)-N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 69319100
N-(oxolan-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 69534391
N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 55241068
1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 62136497

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine (CID 63741473) is 2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine is NCC(C1CCCOC1)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine?
The InChIKey is OOXRJBFDMVZDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-8-15(14-6-3-7-18-11-14)17-9-12-4-1-2-5-13(12)10-17/h1-2,4-5,14-15H,3,6-11,16H2.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine?
2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine has a molecular weight of 246.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine is sourced from PubChem (CID 63741473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).