N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

C15H22FNO — CID 79484036

IUPACN-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCCCOCCNC1CCc2c(F)cccc21
InChIInChI=1S/C15H22FNO/c1-2-3-10-18-11-9-17-15-8-7-12-13(15)5-4-6-14(12)16/h4-6,15,17H,2-3,7-11H2,1H3
InChIKeyBBQNQCDWURYYRH-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.22
Rot. Bonds7

About N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 79484036) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID79484036
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCCCOCCNC1CCc2c(F)cccc21
InChIInChI=1S/C15H22FNO/c1-2-3-10-18-11-9-17-15-8-7-12-13(15)5-4-6-14(12)16/h4-6,15,17H,2-3,7-11H2,1H3
InChIKeyBBQNQCDWURYYRH-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.22
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

4-fluoro-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 83065403
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 79484089
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 83209258
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065498
4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine
CID 115496239
N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 115704394
4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79483582
4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978052
4-fluoro-N-[2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103721632
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 83067155

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 79484036) is N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is CCCCOCCNC1CCc2c(F)cccc21.
What is the InChIKey of N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BBQNQCDWURYYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-3-10-18-11-9-17-15-8-7-12-13(15)5-4-6-14(12)16/h4-6,15,17H,2-3,7-11H2,1H3.
What are the key properties of N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79484036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).