[4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine

C15H22N2O — CID 114240547

IUPAC[4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine
SMILESCC1COCCC1(CN)N1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O/c1-12-10-18-7-6-15(12,11-16)17-8-13-4-2-3-5-14(13)9-17/h2-5,12H,6-11,16H2,1H3
InChIKeyBRHZBUQVFQOWAI-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.76
Rot. Bonds2

About [4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine

[4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine (PubChem CID 114240547) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine
PubChem CID114240547
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine
SMILESCC1COCCC1(CN)N1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O/c1-12-10-18-7-6-15(12,11-16)17-8-13-4-2-3-5-14(13)9-17/h2-5,12H,6-11,16H2,1H3
InChIKeyBRHZBUQVFQOWAI-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine
CID 65044746
[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
CID 63154951
[2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine
CID 82718467
4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine
CID 84736332
[2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine
CID 112740240
[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62704480
[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 55142370
[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)oxan-4-yl]methanamine
CID 63152906
[2-(3-ethylmorpholin-4-yl)-1,3-dihydroinden-2-yl]methanamine
CID 43809109
[4-(2,6-dimethylmorpholin-4-yl)oxan-4-yl]methanamine
CID 43608670
[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 115442062
[4-(1,3-dihydroisoindol-2-yl)-1-methylazepan-4-yl]methanamine
CID 65075467

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine?
The IUPAC name of [4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine (CID 114240547) is [4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine.
What is the SMILES notation for [4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine?
The canonical SMILES for [4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine is CC1COCCC1(CN)N1Cc2ccccc2C1.
What is the InChIKey of [4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine?
The InChIKey is BRHZBUQVFQOWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-10-18-7-6-15(12,11-16)17-8-13-4-2-3-5-14(13)9-17/h2-5,12H,6-11,16H2,1H3.
What are the key properties of [4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine?
[4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine has a molecular weight of 246.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine is sourced from PubChem (CID 114240547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).