N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine

C13H16FN — CID 134175040

IUPACN-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine
SMILESC=Nc1cc(F)c2c(c1C)CC(CC)C2
InChIInChI=1S/C13H16FN/c1-4-9-5-10-8(2)13(15-3)7-12(14)11(10)6-9/h7,9H,3-6H2,1-2H3
InChIKeyHGVULOKYBOHJBB-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.59
Rot. Bonds2

About N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine

N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine (PubChem CID 134175040) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine.

Molecular Properties

Compound NameN-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine
PubChem CID134175040
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC NameN-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine
SMILESC=Nc1cc(F)c2c(c1C)CC(CC)C2
InChIInChI=1S/C13H16FN/c1-4-9-5-10-8(2)13(15-3)7-12(14)11(10)6-9/h7,9H,3-6H2,1-2H3
InChIKeyHGVULOKYBOHJBB-UHFFFAOYSA-N
XLogP3.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-Fluoro-1,1,3-trimethyl-4-aminoindane
CID 90019774
6-fluoro-5-propan-2-yl-3H-indole
CID 58371455
2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine
CID 58779690
6-propan-2-yl-5-(trifluoromethyl)-3H-indole
CID 117798449
(3R)-7-fluoro-1,1,3-trimethyl-indan-4-amine
CID 129409712
(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine
CID 129409713
N-(2-ethenyl-5-fluoro-3-methylphenyl)methanimine
CID 130244467
N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine
CID 142596872
N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine
CID 143148167
ethane;N-[2-ethenyl-4-methyl-5-(trifluoromethyl)phenyl]methanimine
CID 143662990
7-Fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine
CID 145370986
3-Ethyl-7-fluoro-1,1-dimethyl-2,3-dihydroinden-4-amine
CID 146399440

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine?
The IUPAC name of N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine (CID 134175040) is N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine.
What is the SMILES notation for N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine?
The canonical SMILES for N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine is C=Nc1cc(F)c2c(c1C)CC(CC)C2.
What is the InChIKey of N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine?
The InChIKey is HGVULOKYBOHJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-4-9-5-10-8(2)13(15-3)7-12(14)11(10)6-9/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine?
N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine has a molecular weight of 205.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine is sourced from PubChem (CID 134175040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).