5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine

C16H25NO — CID 107683888

IUPAC5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2cc(OC(C)CC)ccc21
InChIInChI=1S/C16H25NO/c1-4-10-17-16-9-6-13-11-14(7-8-15(13)16)18-12(3)5-2/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3
InChIKeyNWRIXWXLDIHCPR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds6

About 5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine

5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683888) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID107683888
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2cc(OC(C)CC)ccc21
InChIInChI=1S/C16H25NO/c1-4-10-17-16-9-6-13-11-14(7-8-15(13)16)18-12(3)5-2/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3
InChIKeyNWRIXWXLDIHCPR-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107683877
ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate
CID 107683817
5-[2-(dimethylamino)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107684000
ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683871
N,N-dimethyl-2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 107683897
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683580
2,2-dimethyl-3-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoic acid
CID 107683929
N-cyclopropyl-2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 107684032
5-[(3-methyl-1,2-oxazol-5-yl)methoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107683923
N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114013297
6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104647002
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-(2-methylpropyl)acetamide
CID 107683613

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 107683888) is 5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1CCc2cc(OC(C)CC)ccc21.
What is the InChIKey of 5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NWRIXWXLDIHCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-10-17-16-9-6-13-11-14(7-8-15(13)16)18-12(3)5-2/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3.
What are the key properties of 5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).