2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine

C12H17NO — CID 14809522

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
SMILESCNCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C12H17NO/c1-13-7-8-14-12-6-5-10-3-2-4-11(10)9-12/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyVYCRTGVFMCMOLK-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.77
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine

2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine (PubChem CID 14809522) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
PubChem CID14809522
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
SMILESCNCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C12H17NO/c1-13-7-8-14-12-6-5-10-3-2-4-11(10)9-12/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyVYCRTGVFMCMOLK-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline
CID 62599410
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
CID 63516362
4-(2,3-dihydro-1H-inden-5-yloxy)-N,2-dimethylbutan-2-amine
CID 94686046
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
CID 63516360
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine (CID 14809522) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine is CNCCOc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine?
The InChIKey is VYCRTGVFMCMOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-7-8-14-12-6-5-10-3-2-4-11(10)9-12/h5-6,9,13H,2-4,7-8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine has a molecular weight of 191.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine is sourced from PubChem (CID 14809522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).