N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine

C18H28N2O — CID 102661787

IUPACN-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCCNC(C)c1ccc2c(c1)CCN2CC1CCOCC1
InChIInChI=1S/C18H28N2O/c1-3-19-14(2)16-4-5-18-17(12-16)6-9-20(18)13-15-7-10-21-11-8-15/h4-5,12,14-15,19H,3,6-11,13H2,1-2H3
InChIKeyMOOXYVMNJVGYJK-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.15
Rot. Bonds5

About N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine

N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102661787) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102661787
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCCNC(C)c1ccc2c(c1)CCN2CC1CCOCC1
InChIInChI=1S/C18H28N2O/c1-3-19-14(2)16-4-5-18-17(12-16)6-9-20(18)13-15-7-10-21-11-8-15/h4-5,12,14-15,19H,3,6-11,13H2,1-2H3
InChIKeyMOOXYVMNJVGYJK-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

Dicarbine
CID 65684
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole dihydrochloride
CID 134973
Stobadine
CID 108089
1-(2,3-Dihydro-1H-indol-5-ylmethyl)-propylamine
CID 13660291
1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]butan-1-one
CID 132240698
1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 132240701
(4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 1426586
6-fluoro-1-methyl-1'-(oxan-4-ylmethyl)spiro[3H-indole-2,4'-piperidine]
CID 156010149
1'-(Oxan-4-ylmethyl)-5-(trifluoromethyl)spiro[1,3-dihydroindole-2,4'-piperidine]
CID 156013786
Stobadine dihydrochloride
CID 108088
1-(2,3-dihydro-1H-indol-5-yl)ethan-1-amine
CID 55296604

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine (CID 102661787) is N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine is CCNC(C)c1ccc2c(c1)CCN2CC1CCOCC1.
What is the InChIKey of N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is MOOXYVMNJVGYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-19-14(2)16-4-5-18-17(12-16)6-9-20(18)13-15-7-10-21-11-8-15/h4-5,12,14-15,19H,3,6-11,13H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine?
N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102661787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).