N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine

C16H23FN2 — CID 142624873

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine
SMILESC=NCC.CC(F)/C=N/Cc1ccc2c(c1)CCC2
InChIInChI=1S/C13H16FN.C3H7N/c1-10(14)8-15-9-11-5-6-12-3-2-4-13(12)7-11;1-3-4-2/h5-8,10H,2-4,9H2,1H3;2-3H2,1H3/b15-8+;
InChIKeyVOEBBNIYYYIZGL-TWNLEINFSA-N
MW262.37 g/mol
LogP3.81
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine (PubChem CID 142624873) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine
PubChem CID142624873
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine
SMILESC=NCC.CC(F)/C=N/Cc1ccc2c(c1)CCC2
InChIInChI=1S/C13H16FN.C3H7N/c1-10(14)8-15-9-11-5-6-12-3-2-4-13(12)7-11;1-3-4-2/h5-8,10H,2-4,9H2,1H3;2-3H2,1H3/b15-8+;
InChIKeyVOEBBNIYYYIZGL-TWNLEINFSA-N
XLogP3.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-ethenyl-N-methylpropan-2-amine
CID 167310084
5-(nitrosomethyl)-2,3-dihydro-1H-indene
CID 91520615
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propan-2-ylguanidine
CID 111071222
6-(nitrosomethyl)-1,2,3,4-tetrahydronaphthalene
CID 90921916
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
CID 164603454
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
6-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene
CID 90992767
5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
CID 66034063
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine (CID 142624873) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine is C=NCC.CC(F)/C=N/Cc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine?
The InChIKey is VOEBBNIYYYIZGL-TWNLEINFSA-N. The full InChI is InChI=1S/C13H16FN.C3H7N/c1-10(14)8-15-9-11-5-6-12-3-2-4-13(12)7-11;1-3-4-2/h5-8,10H,2-4,9H2,1H3;2-3H2,1H3/b15-8+;.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine has a molecular weight of 262.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-fluoropropan-1-imine;N-ethylmethanimine is sourced from PubChem (CID 142624873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).