1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine

C14H18N2O2 — CID 170703836

IUPAC1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine
SMILESc1cc2ccc(CNOC3CCCCO3)cc2[nH]1
InChIInChI=1S/C14H18N2O2/c1-2-8-17-14(3-1)18-16-10-11-4-5-12-6-7-15-13(12)9-11/h4-7,9,14-16H,1-3,8,10H2
InChIKeyVEEWBLGMKUKMLT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.72
Rot. Bonds4

About 1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine

1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine (PubChem CID 170703836) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine.

Molecular Properties

Compound Name1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine
PubChem CID170703836
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine
SMILESc1cc2ccc(CNOC3CCCCO3)cc2[nH]1
InChIInChI=1S/C14H18N2O2/c1-2-8-17-14(3-1)18-16-10-11-4-5-12-6-7-15-13(12)9-11/h4-7,9,14-16H,1-3,8,10H2
InChIKeyVEEWBLGMKUKMLT-UHFFFAOYSA-N
XLogP2.72
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine?
The IUPAC name of 1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine (CID 170703836) is 1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine.
What is the SMILES notation for 1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine?
The canonical SMILES for 1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine is c1cc2ccc(CNOC3CCCCO3)cc2[nH]1.
What is the InChIKey of 1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine?
The InChIKey is VEEWBLGMKUKMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-8-17-14(3-1)18-16-10-11-4-5-12-6-7-15-13(12)9-11/h4-7,9,14-16H,1-3,8,10H2.
What are the key properties of 1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine?
1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine is sourced from PubChem (CID 170703836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).