azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+)

C26H33ClFN3W — CID 172604714

IUPACazanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+)
SMILESCCCCCCN.NCC(c1ccccc1)c1ccc(Cl)c(-c2[c-]cccc2F)c1.[NH2-].[W+2]
InChIInChI=1S/C20H16ClFN.C6H15N.H2N.W/c21-19-11-10-15(18(13-23)14-6-2-1-3-7-14)12-17(19)16-8-4-5-9-20(16)22;1-2-3-4-5-6-7;;/h1-7,9-12,18H,13,23H2;2-7H2,1H3;1H2;/q-1;;-1;+2
InChIKeyAABGAWNFYAXUBG-UHFFFAOYSA-N
MW625.86 g/mol
LogP7.28
Rot. Bonds8

About azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+)

azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+) (PubChem CID 172604714) has the molecular formula C26H33ClFN3W and a molecular weight of 625.86 g/mol. Its IUPAC name is azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+).

Molecular Properties

Compound Nameazanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+)
PubChem CID172604714
Molecular FormulaC26H33ClFN3W
Molecular Weight625.86 g/mol
Exact Mass625.19
IUPAC Nameazanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+)
SMILESCCCCCCN.NCC(c1ccccc1)c1ccc(Cl)c(-c2[c-]cccc2F)c1.[NH2-].[W+2]
InChIInChI=1S/C20H16ClFN.C6H15N.H2N.W/c21-19-11-10-15(18(13-23)14-6-2-1-3-7-14)12-17(19)16-8-4-5-9-20(16)22;1-2-3-4-5-6-7;;/h1-7,9-12,18H,13,23H2;2-7H2,1H3;1H2;/q-1;;-1;+2
InChIKeyAABGAWNFYAXUBG-UHFFFAOYSA-N
XLogP7.28
TPSA85.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.86
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+) with MolForge

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Related Compounds

2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine
CID 172604544
azanide;2-[4-chloro-3-(2-fluoro-3-methylperoxybenzene-6-id-1-yl)phenyl]-2-phenylethanamine;cyclohexanamine;ethane;yttrium
CID 172604278
(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
CID 26249036
2-[5-(2-amino-1-phenylethyl)-2-chlorophenyl]-3,4-difluorobenzonitrile
CID 172604169
benzene;octadecan-1-amine
CID 175562752
2-(4-chlorophenyl)-2-(2-fluorophenyl)ethanamine
CID 82023285
2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine
CID 172604933
1,4-difluorobenzene;heptan-1-amine
CID 143706023
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
3-hexadecyl-2-phenylnonadecan-1-amine
CID 175285044
N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine
CID 83059630
hexadecan-1-amine;phenol
CID 175347138

Frequently Asked Questions

What is the IUPAC name of azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+)?
The IUPAC name of azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+) (CID 172604714) is azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+).
What is the SMILES notation for azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+)?
The canonical SMILES for azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+) is CCCCCCN.NCC(c1ccccc1)c1ccc(Cl)c(-c2[c-]cccc2F)c1.[NH2-].[W+2].
What is the InChIKey of azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+)?
The InChIKey is AABGAWNFYAXUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN.C6H15N.H2N.W/c21-19-11-10-15(18(13-23)14-6-2-1-3-7-14)12-17(19)16-8-4-5-9-20(16)22;1-2-3-4-5-6-7;;/h1-7,9-12,18H,13,23H2;2-7H2,1H3;1H2;/q-1;;-1;+2.
What are the key properties of azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+)?
azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+) has a molecular weight of 625.86 g/mol, XLogP of 7.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+) is sourced from PubChem (CID 172604714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).