2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine

C16H22N2O — CID 62386648

IUPAC2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCC3CCOCC3)c[nH]c2c1
InChIInChI=1S/C16H22N2O/c1-2-4-16-15(3-1)14(12-18-16)5-8-17-11-13-6-9-19-10-7-13/h1-4,12-13,17-18H,5-11H2
InChIKeyHKBHZUWMBZSQLA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.73
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine

2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 62386648) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID62386648
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCC3CCOCC3)c[nH]c2c1
InChIInChI=1S/C16H22N2O/c1-2-4-16-15(3-1)14(12-18-16)5-8-17-11-13-6-9-19-10-7-13/h1-4,12-13,17-18H,5-11H2
InChIKeyHKBHZUWMBZSQLA-UHFFFAOYSA-N
XLogP2.73
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 78914442
2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632947
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine
CID 62065957
2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124863995
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 68709397
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 61258585
N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113028924

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine (CID 62386648) is 2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine is c1ccc2c(CCNCC3CCOCC3)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is HKBHZUWMBZSQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-4-16-15(3-1)14(12-18-16)5-8-17-11-13-6-9-19-10-7-13/h1-4,12-13,17-18H,5-11H2.
What are the key properties of 2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine?
2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 62386648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).