triethyl-[2-(N-phenylanilino)ethyl]azanium bromide

C20H29BrN2 — CID 18042

IUPACtriethyl-[2-(N-phenylanilino)ethyl]azanium bromide
SMILESCC[N+](CC)(CC)CCN(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H29N2.BrH/c1-4-22(5-2,6-3)18-17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16H,4-6,17-18H2,1-3H3;1H/q+1;/p-1
InChIKeyMBVOQKDHXRJERM-UHFFFAOYSA-M
MW377.37 g/mol
LogP1.71
Rot. Bonds8

About triethyl-[2-(N-phenylanilino)ethyl]azanium bromide

triethyl-[2-(N-phenylanilino)ethyl]azanium bromide (PubChem CID 18042) has the molecular formula C20H29BrN2 and a molecular weight of 377.37 g/mol. Its IUPAC name is triethyl-[2-(N-phenylanilino)ethyl]azanium bromide.

Molecular Properties

Compound Nametriethyl-[2-(N-phenylanilino)ethyl]azanium bromide
PubChem CID18042
Molecular FormulaC20H29BrN2
Molecular Weight377.37 g/mol
Exact Mass376.15
IUPAC Nametriethyl-[2-(N-phenylanilino)ethyl]azanium bromide
SMILESCC[N+](CC)(CC)CCN(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H29N2.BrH/c1-4-22(5-2,6-3)18-17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16H,4-6,17-18H2,1-3H3;1H/q+1;/p-1
InChIKeyMBVOQKDHXRJERM-UHFFFAOYSA-M
XLogP1.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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tris(benzyl(triethyl)azanium);tribromide
CID 86596066
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CID 54135056
N-(2-diethylalumanyloxyethyl)-N-phenylaniline
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benzyl-diethyl-octylazanium bromide
CID 71430300
4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol
CID 58759192
methyl(triphenyl)azanium;triethyl(octyl)azanium;bromide;chloride;hydrobromide
CID 172776895
benzyl-diethyl-tetradecylazanium;N,N-dimethylmethanamine;bromide;hydrochloride
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CID 3040700

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(N-phenylanilino)ethyl]azanium bromide?
The IUPAC name of triethyl-[2-(N-phenylanilino)ethyl]azanium bromide (CID 18042) is triethyl-[2-(N-phenylanilino)ethyl]azanium bromide.
What is the SMILES notation for triethyl-[2-(N-phenylanilino)ethyl]azanium bromide?
The canonical SMILES for triethyl-[2-(N-phenylanilino)ethyl]azanium bromide is CC[N+](CC)(CC)CCN(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of triethyl-[2-(N-phenylanilino)ethyl]azanium bromide?
The InChIKey is MBVOQKDHXRJERM-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H29N2.BrH/c1-4-22(5-2,6-3)18-17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16H,4-6,17-18H2,1-3H3;1H/q+1;/p-1.
What are the key properties of triethyl-[2-(N-phenylanilino)ethyl]azanium bromide?
triethyl-[2-(N-phenylanilino)ethyl]azanium bromide has a molecular weight of 377.37 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(N-phenylanilino)ethyl]azanium bromide is sourced from PubChem (CID 18042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).