N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine

C15H23NO2 — CID 14822623

IUPACN-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine
SMILESCOC(CN(C)CC1CCc2ccccc21)OC
InChIInChI=1S/C15H23NO2/c1-16(11-15(17-2)18-3)10-13-9-8-12-6-4-5-7-14(12)13/h4-7,13,15H,8-11H2,1-3H3
InChIKeyFTBOHCSCGUAYHL-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.27
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine

N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine (PubChem CID 14822623) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine
PubChem CID14822623
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine
SMILESCOC(CN(C)CC1CCc2ccccc21)OC
InChIInChI=1S/C15H23NO2/c1-16(11-15(17-2)18-3)10-13-9-8-12-6-4-5-7-14(12)13/h4-7,13,15H,8-11H2,1-3H3
InChIKeyFTBOHCSCGUAYHL-UHFFFAOYSA-N
XLogP2.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol
CID 129363150
2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 55243639
N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine
CID 63772595
1-ethyl-2,3-dihydro-1H-indene
CID 20971
1-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 66395086
(1S,2S)-1-(4-chloro-3-methoxyphenyl)-N-(2,2-dimethoxyethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10894424
methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride
CID 163202613
1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 101467069
N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 66222142
N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 63772976
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
[(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate
CID 129405873

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine (CID 14822623) is N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine is COC(CN(C)CC1CCc2ccccc21)OC.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine?
The InChIKey is FTBOHCSCGUAYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16(11-15(17-2)18-3)10-13-9-8-12-6-4-5-7-14(12)13/h4-7,13,15H,8-11H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine?
N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine is sourced from PubChem (CID 14822623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).