ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde

C22H35FN2O — CID 144679703

IUPACethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde
SMILESC=C(C)/C(=N\CCC)c1cc2c(F)cccc2n1CC.C=O.CC.CC
InChIInChI=1S/C17H21FN2.2C2H6.CH2O/c1-5-10-19-17(12(3)4)16-11-13-14(18)8-7-9-15(13)20(16)6-2;3*1-2/h7-9,11H,3,5-6,10H2,1-2,4H3;2*1-2H3;1H2/b19-17+;;;
InChIKeyDKYZNULHPQGXOC-BBNHCHDCSA-N
MW362.53 g/mol
LogP6.44
Rot. Bonds5

About ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde

ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde (PubChem CID 144679703) has the molecular formula C22H35FN2O and a molecular weight of 362.53 g/mol. Its IUPAC name is ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde.

Molecular Properties

Compound Nameethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde
PubChem CID144679703
Molecular FormulaC22H35FN2O
Molecular Weight362.53 g/mol
Exact Mass362.27
IUPAC Nameethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde
SMILESC=C(C)/C(=N\CCC)c1cc2c(F)cccc2n1CC.C=O.CC.CC
InChIInChI=1S/C17H21FN2.2C2H6.CH2O/c1-5-10-19-17(12(3)4)16-11-13-14(18)8-7-9-15(13)20(16)6-2;3*1-2/h7-9,11H,3,5-6,10H2,1-2,4H3;2*1-2H3;1H2/b19-17+;;;
InChIKeyDKYZNULHPQGXOC-BBNHCHDCSA-N
XLogP6.44
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.53
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine
CID 144679682
2-(ethoxymethyl)-1-ethyl-4-fluoroindole
CID 117173996
1-ethyl-4-methylindole-2-carboxylic acid
CID 53408213
ethyl 4-fluoro-1-methylindole-2-carboxylate
CID 171397337
1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)indole
CID 117173999
1-ethyl-4-fluoro-2-(phenoxymethyl)indole
CID 117173811
1-O-tert-butyl 2-O-ethyl 4-fluoroindole-1,2-dicarboxylate
CID 58941047
ethyl 2-(1-ethyl-4-methylindol-2-yl)-2-oxoacetate
CID 115072524
2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid
CID 110835783
acetic acid;9-ethylcarbazol-3-amine
CID 68649355
1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
CID 42805833
1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde?
The IUPAC name of ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde (CID 144679703) is ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde.
What is the SMILES notation for ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde?
The canonical SMILES for ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde is C=C(C)/C(=N\CCC)c1cc2c(F)cccc2n1CC.C=O.CC.CC.
What is the InChIKey of ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde?
The InChIKey is DKYZNULHPQGXOC-BBNHCHDCSA-N. The full InChI is InChI=1S/C17H21FN2.2C2H6.CH2O/c1-5-10-19-17(12(3)4)16-11-13-14(18)8-7-9-15(13)20(16)6-2;3*1-2/h7-9,11H,3,5-6,10H2,1-2,4H3;2*1-2H3;1H2/b19-17+;;;.
What are the key properties of ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde?
ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde has a molecular weight of 362.53 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde is sourced from PubChem (CID 144679703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).