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

C16H25NO2 — CID 82942309

IUPAC6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCCOCCCNC1CCc2ccc(OC)cc21
InChIInChI=1S/C16H25NO2/c1-3-10-19-11-4-9-17-16-8-6-13-5-7-14(18-2)12-15(13)16/h5,7,12,16-17H,3-4,6,8-11H2,1-2H3
InChIKeyWJIUWDYQXQCIMI-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds8

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

6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 82942309) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID82942309
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCCOCCCNC1CCc2ccc(OC)cc21
InChIInChI=1S/C16H25NO2/c1-3-10-19-11-4-9-17-16-8-6-13-5-7-14(18-2)12-15(13)16/h5,7,12,16-17H,3-4,6,8-11H2,1-2H3
InChIKeyWJIUWDYQXQCIMI-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
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

N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
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-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 115704394
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 79366308
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
6-methoxy-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79367119
N-[2-[2-(dimethylamino)ethoxy]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107094075
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
N-(2-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113262166

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine (CID 82942309) is 6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine is CCCOCCCNC1CCc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WJIUWDYQXQCIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-10-19-11-4-9-17-16-8-6-13-5-7-14(18-2)12-15(13)16/h5,7,12,16-17H,3-4,6,8-11H2,1-2H3.
What are the key properties of 6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 82942309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).