N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

C15H20FN — CID 113251346

IUPACN-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCC1(CNC2CCc3c(F)cccc32)CC1
InChIInChI=1S/C15H20FN/c1-2-15(8-9-15)10-17-14-7-6-11-12(14)4-3-5-13(11)16/h3-5,14,17H,2,6-10H2,1H3
InChIKeyDDBWVLUCVNXHHB-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.59
Rot. Bonds4

About N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 113251346) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID113251346
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCC1(CNC2CCc3c(F)cccc32)CC1
InChIInChI=1S/C15H20FN/c1-2-15(8-9-15)10-17-14-7-6-11-12(14)4-3-5-13(11)16/h3-5,14,17H,2,6-10H2,1H3
InChIKeyDDBWVLUCVNXHHB-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
4-fluoro-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79491863
N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065498
4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 102904112
4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79483582
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78978173
4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978052
N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79484036
4-fluoro-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 83065403
N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 81345188
4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978105

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 113251346) is N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is CCC1(CNC2CCc3c(F)cccc32)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DDBWVLUCVNXHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-2-15(8-9-15)10-17-14-7-6-11-12(14)4-3-5-13(11)16/h3-5,14,17H,2,6-10H2,1H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 233.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113251346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).