N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

C15H23NO2 — CID 79367214

IUPACN-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCOCCCNC1CCc2ccc(OC)cc21
InChIInChI=1S/C15H23NO2/c1-3-18-10-4-9-16-15-8-6-12-5-7-13(17-2)11-14(12)15/h5,7,11,15-16H,3-4,6,8-10H2,1-2H3
InChIKeyNLTYONQWWZZSDS-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.70
Rot. Bonds7

About N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79367214) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79367214
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCOCCCNC1CCc2ccc(OC)cc21
InChIInChI=1S/C15H23NO2/c1-3-18-10-4-9-16-15-8-6-12-5-7-13(17-2)11-14(12)15/h5,7,11,15-16H,3-4,6,8-10H2,1-2H3
InChIKeyNLTYONQWWZZSDS-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 82942309
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 113429607
N-(2-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113262166
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
N-(1-ethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366954
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 79366308
6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 79366504
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 103901315
6-methoxy-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79367119

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79367214) is N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is CCOCCCNC1CCc2ccc(OC)cc21.
What is the InChIKey of N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NLTYONQWWZZSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-10-4-9-16-15-8-6-12-5-7-13(17-2)11-14(12)15/h5,7,11,15-16H,3-4,6,8-10H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79367214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).