N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine

C16H22N2O — CID 107137706

IUPACN-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine
SMILESCCNCc1cccc2ccn(C3CCCOC3)c12
InChIInChI=1S/C16H22N2O/c1-2-17-11-14-6-3-5-13-8-9-18(16(13)14)15-7-4-10-19-12-15/h3,5-6,8-9,15,17H,2,4,7,10-12H2,1H3
InChIKeyICONMQHDAGTWQY-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.10
Rot. Bonds4

About N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine

N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine (PubChem CID 107137706) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine
PubChem CID107137706
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine
SMILESCCNCc1cccc2ccn(C3CCCOC3)c12
InChIInChI=1S/C16H22N2O/c1-2-17-11-14-6-3-5-13-8-9-18(16(13)14)15-7-4-10-19-12-15/h3,5-6,8-9,15,17H,2,4,7,10-12H2,1H3
InChIKeyICONMQHDAGTWQY-UHFFFAOYSA-N
XLogP3.10
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152226
1-(1-cyclobutylindol-7-yl)propan-2-ol
CID 115115260
1-(oxolan-3-yl)indole-7-carboxamide
CID 140662744
N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine
CID 102914153
2-(1-cyclobutylindol-7-yl)ethanamine
CID 115115266
N-[[3-bromo-2-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134326
(1-cyclopropylindol-7-yl)methanamine
CID 115017101
N-ethyl-1-(oxan-3-yl)imidazol-2-amine
CID 106573282
N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine
CID 63557703
3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
CID 139373545
7-chloro-1-(oxan-4-yl)indole
CID 103475403
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine (CID 107137706) is N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine is CCNCc1cccc2ccn(C3CCCOC3)c12.
What is the InChIKey of N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine?
The InChIKey is ICONMQHDAGTWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-17-11-14-6-3-5-13-8-9-18(16(13)14)15-7-4-10-19-12-15/h3,5-6,8-9,15,17H,2,4,7,10-12H2,1H3.
What are the key properties of N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine?
N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine has a molecular weight of 258.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine is sourced from PubChem (CID 107137706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).