2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine

C16H24N2O — CID 63827400

IUPAC2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(CCOC1CCCCC1)C2
InChIInChI=1S/C16H24N2O/c17-15-7-6-13-11-18(12-14(13)10-15)8-9-19-16-4-2-1-3-5-16/h6-7,10,16H,1-5,8-9,11-12,17H2
InChIKeyKGDPTMVCXDBHFI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.93
Rot. Bonds4

About 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine

2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine (PubChem CID 63827400) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine
PubChem CID63827400
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(CCOC1CCCCC1)C2
InChIInChI=1S/C16H24N2O/c17-15-7-6-13-11-18(12-14(13)10-15)8-9-19-16-4-2-1-3-5-16/h6-7,10,16H,1-5,8-9,11-12,17H2
InChIKeyKGDPTMVCXDBHFI-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-Benzylisoindolin-5-yl)morpholine
CID 132060733
N-(2-methoxycyclohexyl)-3,4-dimethylaniline
CID 2850833
2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine
CID 3159244
2-(3-ethoxypropyl)-2,3-dihydro-1H-isoindol-5-amine
CID 43175774
4-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-4-yl]methyl]aniline
CID 6625054
2-(2,2-Difluoro-3-methoxypropyl)-1,3-dihydroisoindol-5-amine
CID 125482224
6-(3-aminophenyl)-5-[(3E,5E)-6-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyhepta-1,3,5-trien-3-yl]-8,9-dihydro-7H-benzo[7]annulen-2-amine
CID 156345056
6-(4-fluoro-2-methylphenyl)-5-[(2E,4E)-5-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyhexa-2,4-dien-2-yl]-8,9-dihydro-7H-benzo[7]annulen-2-amine
CID 156345097
4-[[(3S)-3-phenylmethoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)aniline
CID 164559008
4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)aniline
CID 164559846
4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)aniline
CID 164560109
4-[[(3R)-3-phenylmethoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)aniline
CID 167134420

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine (CID 63827400) is 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine is Nc1ccc2c(c1)CN(CCOC1CCCCC1)C2.
What is the InChIKey of 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is KGDPTMVCXDBHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-15-7-6-13-11-18(12-14(13)10-15)8-9-19-16-4-2-1-3-5-16/h6-7,10,16H,1-5,8-9,11-12,17H2.
What are the key properties of 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine?
2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 260.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 63827400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).