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

C16H24N2O — CID 115105966

IUPAC2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESNCCc1ccc2c(c1)CCN2CC1CCOCC1
InChIInChI=1S/C16H24N2O/c17-7-3-13-1-2-16-15(11-13)4-8-18(16)12-14-5-9-19-10-6-14/h1-2,11,14H,3-10,12,17H2
InChIKeyHGYJLOXCYYHHRG-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.98
Rot. Bonds4

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

2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 115105966) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
PubChem CID115105966
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESNCCc1ccc2c(c1)CCN2CC1CCOCC1
InChIInChI=1S/C16H24N2O/c17-7-3-13-1-2-16-15(11-13)4-8-18(16)12-14-5-9-19-10-6-14/h1-2,11,14H,3-10,12,17H2
InChIKeyHGYJLOXCYYHHRG-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine
CID 115105775
8-bromo-1-(oxan-4-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine
CID 175164732
1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662492
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)ethanamine
CID 115115356
N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661787
2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine
CID 117118942
4-[3-(1-ethyl-2,3-dihydroindol-5-yl)propyl]morpholine
CID 170870656
2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine
CID 115105814
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
2-(3-fluoro-4-morpholin-4-ylphenyl)ethanamine
CID 63784903
1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661602
5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
CID 169489713

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of 2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine (CID 115105966) is 2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for 2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for 2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine is NCCc1ccc2c(c1)CCN2CC1CCOCC1.
What is the InChIKey of 2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is HGYJLOXCYYHHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-7-3-13-1-2-16-15(11-13)4-8-18(16)12-14-5-9-19-10-6-14/h1-2,11,14H,3-10,12,17H2.
What are the key properties of 2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine?
2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 115105966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).