N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine

C15H22N2O — CID 80648716

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine
SMILESc1cc2c(c(CNCCC3CCCO3)c1)NCC2
InChIInChI=1S/C15H22N2O/c1-3-12-6-9-17-15(12)13(4-1)11-16-8-7-14-5-2-10-18-14/h1,3-4,14,16-17H,2,5-11H2
InChIKeyKNXURSSDSMGIDS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.31
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine (PubChem CID 80648716) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine
PubChem CID80648716
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine
SMILESc1cc2c(c(CNCCC3CCCO3)c1)NCC2
InChIInChI=1S/C15H22N2O/c1-3-12-6-9-17-15(12)13(4-1)11-16-8-7-14-5-2-10-18-14/h1,3-4,14,16-17H,2,5-11H2
InChIKeyKNXURSSDSMGIDS-UHFFFAOYSA-N
XLogP2.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 112554056
N-(isoquinolin-5-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 62824788
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
CID 106840914
N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexanamine
CID 80650268
N-[(2-bromo-3-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 114135964
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 62339579
N-[(4-bromo-2-chlorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115652022
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
CID 80650330
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588
1-(4-ethylmorpholin-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 114399580

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine (CID 80648716) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine is c1cc2c(c(CNCCC3CCCO3)c1)NCC2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is KNXURSSDSMGIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12-6-9-17-15(12)13(4-1)11-16-8-7-14-5-2-10-18-14/h1,3-4,14,16-17H,2,5-11H2.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 80648716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).